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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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).