4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]benzamide

C21H14Cl3N3O — CID 44534673

IUPAC4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C21H14Cl3N3O/c22-15-6-8-18-19(10-15)27-20(26-18)13-2-4-14(5-3-13)21(28)25-11-12-1-7-16(23)17(24)9-12/h1-10H,11H2,(H,25,28)(H,26,27)
InChIKeyKXBVVWSZMDAQPD-UHFFFAOYSA-N
MW430.72 g/mol
LogP6.12
Rot. Bonds4

About 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]benzamide

4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]benzamide (PubChem CID 44534673) has the molecular formula C21H14Cl3N3O and a molecular weight of 430.72 g/mol. Its IUPAC name is 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]benzamide.

Molecular Properties

Compound Name4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]benzamide
PubChem CID44534673
Molecular FormulaC21H14Cl3N3O
Molecular Weight430.72 g/mol
Exact Mass429.02
IUPAC Name4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]benzamide
SMILESO=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1
InChIInChI=1S/C21H14Cl3N3O/c22-15-6-8-18-19(10-15)27-20(26-18)13-2-4-14(5-3-13)21(28)25-11-12-1-7-16(23)17(24)9-12/h1-10H,11H2,(H,25,28)(H,26,27)
InChIKeyKXBVVWSZMDAQPD-UHFFFAOYSA-N
XLogP6.12
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.72
LogP ≤ 56.12
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[(3,4-dichlorophenyl)methyl]-4-(5,6-difluoro-1H-benzimidazol-2-yl)benzamide
CID 44534692
4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide
CID 100579654
4-(6-chloro-1H-benzimidazol-2-yl)-N-(furan-2-ylmethyl)benzamide
CID 100579855
4-(6-chloro-1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide
CID 100580067
4-(6-chloro-1H-benzimidazol-2-yl)-N-[(2S)-4-phenylbutan-2-yl]benzamide
CID 100580774
4-(6-chloro-1H-benzimidazol-2-yl)-N-(3,4-dimethylphenyl)benzamide
CID 100579998
N-benzyl-2-(4-phenoxyphenyl)-3H-benzimidazole-5-carboxamide
CID 71717004
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 3008656
4-chloro-N-[2-[4-(methylamino)phenyl]-3H-benzimidazol-5-yl]benzamide
CID 142812719
4-[[[2-(6-fluoro-3-pyridinyl)-3H-benzimidazole-5-carbonyl]amino]methyl]benzoic acid
CID 141342688
2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690329

Frequently Asked Questions

What is the IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]benzamide?
The IUPAC name of 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]benzamide (CID 44534673) is 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]benzamide.
What is the SMILES notation for 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]benzamide?
The canonical SMILES for 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]benzamide is O=C(NCc1ccc(Cl)c(Cl)c1)c1ccc(-c2nc3ccc(Cl)cc3[nH]2)cc1.
What is the InChIKey of 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]benzamide?
The InChIKey is KXBVVWSZMDAQPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H14Cl3N3O/c22-15-6-8-18-19(10-15)27-20(26-18)13-2-4-14(5-3-13)21(28)25-11-12-1-7-16(23)17(24)9-12/h1-10H,11H2,(H,25,28)(H,26,27).
What are the key properties of 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]benzamide?
4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]benzamide has a molecular weight of 430.72 g/mol, XLogP of 6.12, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-chloro-1H-benzimidazol-2-yl)-N-[(3,4-dichlorophenyl)methyl]benzamide is sourced from PubChem (CID 44534673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).