Mrv1572004221606342D          

 27 29  0  0  0  0            999 V2000
    2.8208    2.0750    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8208    4.9329    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2333    2.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2333    4.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3153    6.2836    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9563    5.8420    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0604    7.0682    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7014    6.6266    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2444    2.4469    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4160    3.2539    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0583    2.7895    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0583    4.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7083    4.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8467    2.7440    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7633    5.6705    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2534    7.2397    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4598    2.1920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5333    4.2184    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8029    3.8059    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2958    3.5040    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.0182    4.8859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9985    8.0244    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.2883    1.3850    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    7.8029    4.6309    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4708    3.5040    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0182    3.5510    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7083    2.7895    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  3  1  1  0  0  0  0
  4  2  1  0  0  0  0
  7  5  1  0  0  0  0
  8  6  2  0  0  0  0
 10  9  2  0  0  0  0
 11  3  1  0  0  0  0
 12  4  1  0  0  0  0
 15  5  2  0  0  0  0
 15  6  1  0  0  0  0
 16  7  2  0  0  0  0
 16  8  1  0  0  0  0
 17  9  1  0  0  0  0
 17 14  2  0  0  0  0
 18 13  1  0  0  0  0
 19 10  1  0  0  0  0
 20 13  1  0  0  0  0
 21 15  1  0  0  0  0
 21 18  2  0  0  0  0
 22 16  1  0  0  0  0
 23 17  1  0  0  0  0
 24 19  2  0  0  0  0
 24 21  1  0  0  0  0
 25 11  1  0  0  0  0
 25 12  1  0  0  0  0
 25 20  1  0  0  0  0
 26 14  1  0  0  0  0
 26 18  1  0  0  0  0
 26 19  1  0  0  0  0
 27 20  2  0  0  0  0
M  END
> <DATABASE_ID>
CHEM020256

> <DATABASE_NAME>
chemdb

> <SMILES>
CCCN(CCC)C(=O)CC1=C(N=C2C=CC(Cl)=CN12)C1=CC=C(Cl)C=C1

> <INCHI_IDENTIFIER>
InChI=1S/C21H23Cl2N3O/c1-3-11-25(12-4-2)20(27)13-18-21(15-5-7-16(22)8-6-15)24-19-10-9-17(23)14-26(18)19/h5-10,14H,3-4,11-13H2,1-2H3

> <INCHI_KEY>
JRTIDHTUMYMPRU-UHFFFAOYSA-N

> <FORMULA>
C21H23Cl2N3O

> <MOLECULAR_WEIGHT>
404.34

> <EXACT_MASS>
403.1218178

> <JCHEM_ACCEPTOR_COUNT>
2

> <JCHEM_ATOM_COUNT>
50

> <JCHEM_AVERAGE_POLARIZABILITY>
43.074899068169294

> <JCHEM_BIOAVAILABILITY>
1

> <JCHEM_DONOR_COUNT>
0

> <JCHEM_FORMAL_CHARGE>
0

> <JCHEM_GHOSE_FILTER>
1

> <JCHEM_IUPAC>
2-[6-chloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]-N,N-dipropylacetamide

> <ALOGPS_LOGP>
5.83

> <JCHEM_LOGP>
4.957534094666667

> <ALOGPS_LOGS>
-5.49

> <JCHEM_MDDR_LIKE_RULE>
1

> <JCHEM_NUMBER_OF_RINGS>
3

> <JCHEM_PHYSIOLOGICAL_CHARGE>
0

> <JCHEM_PKA_STRONGEST_BASIC>
5.324812759512732

> <JCHEM_POLAR_SURFACE_AREA>
37.61

> <JCHEM_REFRACTIVITY>
111.65609999999998

> <JCHEM_ROTATABLE_BOND_COUNT>
7

> <JCHEM_RULE_OF_FIVE>
1

> <ALOGPS_SOLUBILITY>
1.32e-03 g/l

> <JCHEM_TRADITIONAL_IUPAC>
alpidem

> <JCHEM_VEBER_RULE>
1

> <NAME>
Alpidem

> <CAS>
82626-01-5

$$$$