51361205
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36
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25
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255
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6.7619
7.7619
4.6783
7.7619
9.8455
4.6783
6.2619
6.7619
5.2619
3.732
9.2619
3.732
10.7917
10.7917
9.8455
8.2619
2.866
2.866
11.6577
11.6577
2
2
12.5238
12.5238
5.9519
6.1793
6.8695
4.8709
8.0719
9.6529
9.6529
2.866
2.866
11.6577
11.6577
7.3819
1.4631
1.4631
13.0607
13.0607
1.535
-1.9291
1.4737
-0.197
-0.2583
-0.1357
0.669
-0.197
0.669
1.169
-1.063
0.169
-0.5631
-1.563
-1.8678
-1.063
1.669
-0.331
-0.0631
-2.063
1.169
0.169
-0.5631
-1.563
1.2059
-0.4091
-0.8076
2.063
0.3399
0.331
-2.4571
2.289
-0.951
0.5569
-2.683
1.535
1.479
-0.141
-0.2531
-1.873
8
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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
460
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
4
Count
Rotatable Bond
5
E_NROTBONDS
3.402
Cactvs
xemistry.com
2012.05.21
4
Fingerprint
SubStructure Keys
16
extended 2
E_SCREEN
3.402
Cactvs
xemistry.com
2012.05.21
00000371E07BB000000000000000000000000000000162C0000030600000000000005801FE00001E00100800000C1CE19F0631D0F6C99200A8032772740482802DA712A00999A1B874D88A78F2C0DDB1942108689602D8C9A71889809E00000000000200200000000000040040000000000000
IUPAC Name
Allowed
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[2-(1H-benzimidazol-2-yl)-2-hydroxy-ethyl]-1H-indole-2-carboxamide
IUPAC Name
CAS-like Style
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[2-(1H-benzimidazol-2-yl)-2-hydroxyethyl]-1H-indole-2-carboxamide
IUPAC Name
Preferred
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[2-(1H-benzimidazol-2-yl)-2-hydroxyethyl]-1H-indole-2-carboxamide
IUPAC Name
Systematic
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[2-(1H-benzimidazol-2-yl)-2-oxidanyl-ethyl]-1H-indole-2-carboxamide
IUPAC Name
Traditional
1
2.1.0
LexiChem
openeye.com
2012.05.21
N-[2-(1H-benzimidazol-2-yl)-2-hydroxy-ethyl]-1H-indole-2-carboxamide
InChI
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
InChI=1S/C18H16N4O2/c23-16(17-21-13-7-3-4-8-14(13)22-17)10-19-18(24)15-9-11-5-1-2-6-12(11)20-15/h1-9,16,20,23H,10H2,(H,19,24)(H,21,22)
InChIKey
Standard
1
1.0.4
InChI
iupac.org
2012.05.21
GAYNDWRDCXLYRE-UHFFFAOYSA-N
Log P
XLogP3-AA
7
3.0
sioc-ccbg.ac.cn
2012.05.21
2.1
Mass
Exact
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
320.127326
Molecular Formula
1
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
C18H16N4O2
Molecular Weight
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
320.34524
SMILES
Canonical
1
1.7.6
OEChem
openeye.com
2012.05.21
C1=CC=C2C(=C1)C=C(N2)C(=O)NCC(C3=NC4=CC=CC=C4N3)O
SMILES
Isomeric
1
1.7.6
OEChem
openeye.com
2012.05.21
C1=CC=C2C(=C1)C=C(N2)C(=O)NCC(C3=NC4=CC=CC=C4N3)O
Topological
Polar Surface Area
7
E_TPSA
3.402
Cactvs
xemistry.com
2012.05.21
93.8
Weight
MonoIsotopic
7
2.1
PubChem
ncbi.nlm.nih.gov
2012.05.21
320.127326
24
1
0
1
0
0
0
0
1
11