N-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide

C21H13Cl4N3O — CID 58562173

IUPACN-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2nc(Cc3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C21H13Cl4N3O/c22-14-2-1-3-15(23)13(14)10-20-27-18-7-4-11(8-19(18)28-20)21(29)26-12-5-6-16(24)17(25)9-12/h1-9H,10H2,(H,26,29)(H,27,28)
InChIKeyVGQSVUFUFDESLP-UHFFFAOYSA-N
MW465.17 g/mol
LogP7.02
Rot. Bonds4

About N-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide

N-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide (PubChem CID 58562173) has the molecular formula C21H13Cl4N3O and a molecular weight of 465.17 g/mol. Its IUPAC name is N-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
PubChem CID58562173
Molecular FormulaC21H13Cl4N3O
Molecular Weight465.17 g/mol
Exact Mass462.98
IUPAC NameN-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2nc(Cc3c(Cl)cccc3Cl)[nH]c2c1
InChIInChI=1S/C21H13Cl4N3O/c22-14-2-1-3-15(23)13(14)10-20-27-18-7-4-11(8-19(18)28-20)21(29)26-12-5-6-16(24)17(25)9-12/h1-9H,10H2,(H,26,29)(H,27,28)
InChIKeyVGQSVUFUFDESLP-UHFFFAOYSA-N
XLogP7.02
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500465.17
LogP ≤ 57.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-chloro-4-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562209
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562141
N-(3-chloro-2-methylphenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562324
N-(4-chloro-3-fluorophenyl)-2-[(2,6-dichlorophenyl)methyl]-6-methyl-1H-benzimidazole-5-carboxamide
CID 58562458
3,4-dichloro-N-(2-chloro-3H-benzimidazol-5-yl)benzamide
CID 84580791
N-(1-cyanocyclohexyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 58562311
4-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328956
3,4-dichloro-N-[4-[6-[(3,4-dichlorobenzoyl)amino]-1H-benzimidazol-2-yl]phenyl]benzamide
CID 10166808
2-chloro-N-[2-(2-phenylethyl)-3H-benzimidazol-5-yl]benzamide
CID 46328977
2-[2-(4-acetamidophenyl)ethyl]-N-(3-bromophenyl)-3H-benzimidazole-5-carboxamide
CID 46335025
3-[[2-(2,6-dichlorophenyl)-3H-benzimidazole-5-carbonyl]amino]benzoic acid
CID 68935401
N-[4-chloro-3-(trifluoromethyl)phenyl]-2-(2,6-dichloroanilino)-3H-benzimidazole-5-carboxamide
CID 87318781

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide (CID 58562173) is N-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide is O=C(Nc1ccc(Cl)c(Cl)c1)c1ccc2nc(Cc3c(Cl)cccc3Cl)[nH]c2c1.
What is the InChIKey of N-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is VGQSVUFUFDESLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H13Cl4N3O/c22-14-2-1-3-15(23)13(14)10-20-27-18-7-4-11(8-19(18)28-20)21(29)26-12-5-6-16(24)17(25)9-12/h1-9H,10H2,(H,26,29)(H,27,28).
What are the key properties of N-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide?
N-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 465.17 g/mol, XLogP of 7.02, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dichlorophenyl)-2-[(2,6-dichlorophenyl)methyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 58562173), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).