2-[4-(3,4-dichlorobenzoyl)phenyl]benzimidazole-1-carboxamide

C21H13Cl2N3O2 — CID 68697794

IUPAC2-[4-(3,4-dichlorobenzoyl)phenyl]benzimidazole-1-carboxamide
SMILESNC(=O)n1c(-c2ccc(C(=O)c3ccc(Cl)c(Cl)c3)cc2)nc2ccccc21
InChIInChI=1S/C21H13Cl2N3O2/c22-15-10-9-14(11-16(15)23)19(27)12-5-7-13(8-6-12)20-25-17-3-1-2-4-18(17)26(20)21(24)28/h1-11H,(H2,24,28)
InChIKeyWYJHQSIWICHFQW-UHFFFAOYSA-N
MW410.26 g/mol
LogP5.17
Rot. Bonds3

About 2-[4-(3,4-dichlorobenzoyl)phenyl]benzimidazole-1-carboxamide

2-[4-(3,4-dichlorobenzoyl)phenyl]benzimidazole-1-carboxamide (PubChem CID 68697794) has the molecular formula C21H13Cl2N3O2 and a molecular weight of 410.26 g/mol. Its IUPAC name is 2-[4-(3,4-dichlorobenzoyl)phenyl]benzimidazole-1-carboxamide.

Molecular Properties

Compound Name2-[4-(3,4-dichlorobenzoyl)phenyl]benzimidazole-1-carboxamide
PubChem CID68697794
Molecular FormulaC21H13Cl2N3O2
Molecular Weight410.26 g/mol
Exact Mass409.04
IUPAC Name2-[4-(3,4-dichlorobenzoyl)phenyl]benzimidazole-1-carboxamide
SMILESNC(=O)n1c(-c2ccc(C(=O)c3ccc(Cl)c(Cl)c3)cc2)nc2ccccc21
InChIInChI=1S/C21H13Cl2N3O2/c22-15-10-9-14(11-16(15)23)19(27)12-5-7-13(8-6-12)20-25-17-3-1-2-4-18(17)26(20)21(24)28/h1-11H,(H2,24,28)
InChIKeyWYJHQSIWICHFQW-UHFFFAOYSA-N
XLogP5.17
TPSA77.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500410.26
LogP ≤ 55.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

(4-chlorophenyl)-[2-(4-chlorophenyl)benzimidazol-1-yl]methanone
CID 21177132
4-[1-(4-chlorobenzoyl)benzimidazol-2-yl]benzenesulfonic acid
CID 50907932
2-[2-[2-(4-chlorophenyl)benzimidazol-1-yl]-2-oxoethyl]isoindole-1,3-dione
CID 135122097
(2-chlorophenyl)-(2-methylbenzimidazol-1-yl)methanone
CID 791264
1-(3,4-dichlorobenzoyl)-2-methylindole-3-carboxamide
CID 91690481
(3,4-dichlorophenyl)-(4-methoxyphenyl)methanone
CID 2758123
[4-[4-(bromomethyl)phenyl]phenyl]-(3,4-dichlorophenyl)methanone
CID 19043698
2-phenyl-1-(1-phenylethenyl)benzimidazole
CID 15370505
(2-aminobenzimidazol-1-yl)-(4-chlorophenyl)methanone
CID 1088433
4-oxo-4-(2-phenylbenzimidazol-1-yl)butanoic acid
CID 5063672
(3,4-dichlorophenyl)-(3,5-dimethylphenyl)methanone
CID 2758091
(9-chloroindolo[1,2-a]quinoxalin-6-yl)-(4-methylphenyl)methanone
CID 102366124

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dichlorobenzoyl)phenyl]benzimidazole-1-carboxamide?
The IUPAC name of 2-[4-(3,4-dichlorobenzoyl)phenyl]benzimidazole-1-carboxamide (CID 68697794) is 2-[4-(3,4-dichlorobenzoyl)phenyl]benzimidazole-1-carboxamide.
What is the SMILES notation for 2-[4-(3,4-dichlorobenzoyl)phenyl]benzimidazole-1-carboxamide?
The canonical SMILES for 2-[4-(3,4-dichlorobenzoyl)phenyl]benzimidazole-1-carboxamide is NC(=O)n1c(-c2ccc(C(=O)c3ccc(Cl)c(Cl)c3)cc2)nc2ccccc21.
What is the InChIKey of 2-[4-(3,4-dichlorobenzoyl)phenyl]benzimidazole-1-carboxamide?
The InChIKey is WYJHQSIWICHFQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl2N3O2/c22-15-10-9-14(11-16(15)23)19(27)12-5-7-13(8-6-12)20-25-17-3-1-2-4-18(17)26(20)21(24)28/h1-11H,(H2,24,28).
What are the key properties of 2-[4-(3,4-dichlorobenzoyl)phenyl]benzimidazole-1-carboxamide?
2-[4-(3,4-dichlorobenzoyl)phenyl]benzimidazole-1-carboxamide has a molecular weight of 410.26 g/mol, XLogP of 5.17, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3,4-dichlorobenzoyl)phenyl]benzimidazole-1-carboxamide is sourced from PubChem (CID 68697794), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).