N-(3-chlorophenyl)-2-(2-cyanophenyl)-3H-benzimidazole-5-carboxamide

C21H13ClN4O — CID 66965183

IUPACN-(3-chlorophenyl)-2-(2-cyanophenyl)-3H-benzimidazole-5-carboxamide
SMILESN#Cc1ccccc1-c1nc2ccc(C(=O)Nc3cccc(Cl)c3)cc2[nH]1
InChIInChI=1S/C21H13ClN4O/c22-15-5-3-6-16(11-15)24-21(27)13-8-9-18-19(10-13)26-20(25-18)17-7-2-1-4-14(17)12-23/h1-11H,(H,24,27)(H,25,26)
InChIKeyTTWOJXXKKUPBJR-UHFFFAOYSA-N
MW372.82 g/mol
LogP5.01
Rot. Bonds3

About N-(3-chlorophenyl)-2-(2-cyanophenyl)-3H-benzimidazole-5-carboxamide

N-(3-chlorophenyl)-2-(2-cyanophenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 66965183) has the molecular formula C21H13ClN4O and a molecular weight of 372.82 g/mol. Its IUPAC name is N-(3-chlorophenyl)-2-(2-cyanophenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-2-(2-cyanophenyl)-3H-benzimidazole-5-carboxamide
PubChem CID66965183
Molecular FormulaC21H13ClN4O
Molecular Weight372.82 g/mol
Exact Mass372.08
IUPAC NameN-(3-chlorophenyl)-2-(2-cyanophenyl)-3H-benzimidazole-5-carboxamide
SMILESN#Cc1ccccc1-c1nc2ccc(C(=O)Nc3cccc(Cl)c3)cc2[nH]1
InChIInChI=1S/C21H13ClN4O/c22-15-5-3-6-16(11-15)24-21(27)13-8-9-18-19(10-13)26-20(25-18)17-7-2-1-4-14(17)12-23/h1-11H,(H,24,27)(H,25,26)
InChIKeyTTWOJXXKKUPBJR-UHFFFAOYSA-N
XLogP5.01
TPSA81.57 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500372.82
LogP ≤ 55.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-2-(2-cyanophenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-2-(2-cyanophenyl)-3H-benzimidazole-5-carboxamide (CID 66965183) is N-(3-chlorophenyl)-2-(2-cyanophenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-2-(2-cyanophenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-2-(2-cyanophenyl)-3H-benzimidazole-5-carboxamide is N#Cc1ccccc1-c1nc2ccc(C(=O)Nc3cccc(Cl)c3)cc2[nH]1.
What is the InChIKey of N-(3-chlorophenyl)-2-(2-cyanophenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is TTWOJXXKKUPBJR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13ClN4O/c22-15-5-3-6-16(11-15)24-21(27)13-8-9-18-19(10-13)26-20(25-18)17-7-2-1-4-14(17)12-23/h1-11H,(H,24,27)(H,25,26).
What are the key properties of N-(3-chlorophenyl)-2-(2-cyanophenyl)-3H-benzimidazole-5-carboxamide?
N-(3-chlorophenyl)-2-(2-cyanophenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 372.82 g/mol, XLogP of 5.01, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-2-(2-cyanophenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 66965183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).