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2.866
4.6261
6.5282
2.866
7.0634
3.366
2.866
8.0145
3.675
8.7576
5.3692
2.057
2
3.732
6.3203
9.7087
8.5497
2.366
2
3.732
2.866
10.4518
9.2929
10.2439
7.7234
8.5031
5.6603
4.8807
1.4674
6.9345
1.4631
4.269
9.8376
7.9601
2.0016
1.4631
4.269
11.0415
9.164
10.7047
-3.6577
0.6211
0.003
0.3423
1.6503
1.8811
-0.6577
1.3413
0.9301
2.0104
1.2902
0.9301
-1.1577
-1.1577
0.9812
1.7014
2.9886
1.8811
-2.1577
-2.1577
-2.6577
2.3705
3.6577
3.3487
0.7939
0.9596
1.8376
1.6719
0.7385
2.2568
-0.8477
-0.8477
1.095
3.1802
2.3827
-2.4677
-2.4677
2.179
4.2642
3.7636
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0
Compound
Canonicalized
5
2011.04.04
1
Compound Complexity
7
E_COMPLEXITY
3.402
Cactvs
xemistry.com
2012.05.21
398
Count
Hydrogen Bond Acceptor
5
E_NHACCEPTORS
3.402
Cactvs
xemistry.com
2012.05.21
3
Count
Hydrogen Bond Donor
5
E_NHDONORS
3.402
Cactvs
xemistry.com
2012.05.21
1
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
6
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07B200044000000000000000000000000016000000030600000000000000001D000001E06100000000C0AC5DA24BDD097CC1008A8023577740082D02D7117B009C880187688886862C19B91942008689602C8C8271080000E00004000000000000000800000000000000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-benzyl-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-acetamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[[1-(4-chlorophenyl)-2-imidazolyl]thio]-N-(phenylmethyl)acetamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-benzyl-2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanylacetamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
2-[1-(4-chlorophenyl)imidazol-2-yl]sulfanyl-N-(phenylmethyl)ethanamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-benzyl-2-[[1-(4-chlorophenyl)imidazol-2-yl]thio]acetamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C18H16ClN3OS/c19-15-6-8-16(9-7-15)22-11-10-20-18(22)24-13-17(23)21-12-14-4-2-1-3-5-14/h1-11H,12-13H2,(H,21,23)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
ZBJKVCICQDBLCD-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
4
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
357.070261
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C18H16ClN3OS
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
357.85714
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
C1=CC=C(C=C1)CNC(=O)CSC2=NC=CN2C3=CC=C(C=C3)Cl
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
C1=CC=C(C=C1)CNC(=O)CSC2=NC=CN2C3=CC=C(C=C3)Cl
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
72.2
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
357.070261
24
0
0
0
0
0
0
0
1
2