4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide

C21H16ClN3O2 — CID 100578035

IUPAC4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H16ClN3O2/c1-27-19-11-10-15(22)12-18(19)25-21(26)14-8-6-13(7-9-14)20-23-16-4-2-3-5-17(16)24-20/h2-12H,1H3,(H,23,24)(H,25,26)
InChIKeyWCZRPRHJFGTWFY-UHFFFAOYSA-N
MW377.83 g/mol
LogP5.14
Rot. Bonds4

About 4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide

4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide (PubChem CID 100578035) has the molecular formula C21H16ClN3O2 and a molecular weight of 377.83 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide
PubChem CID100578035
Molecular FormulaC21H16ClN3O2
Molecular Weight377.83 g/mol
Exact Mass377.09
IUPAC Name4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide
SMILESCOc1ccc(Cl)cc1NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H16ClN3O2/c1-27-19-11-10-15(22)12-18(19)25-21(26)14-8-6-13(7-9-14)20-23-16-4-2-3-5-17(16)24-20/h2-12H,1H3,(H,23,24)(H,25,26)
InChIKeyWCZRPRHJFGTWFY-UHFFFAOYSA-N
XLogP5.14
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500377.83
LogP ≤ 55.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-tert-butylbenzamide
CID 17093013
4-(1H-benzimidazol-2-yl)-N-(3-chloro-4-methoxyphenyl)benzamide
CID 100578045
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-nitrobenzamide
CID 17093079
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-4-(1-methyl-1,2,4-triazol-3-yl)benzamide
CID 166180424
N-[5-(1H-benzimidazol-2-yl)-2-methylphenyl]-5-chloro-2-methoxybenzamide
CID 46502807
N-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]carbamothioyl]-2,4-dichlorobenzamide
CID 17092966
N-[[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]carbamothioyl]-4-propan-2-ylbenzamide
CID 17092952
N-[5-(1H-benzimidazol-2-yl)-2-chlorophenyl]-3,4,5-trimethoxybenzamide
CID 2033052
(E)-N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-3-(4-chlorophenyl)prop-2-enamide
CID 17093112
N-[5-(1H-benzimidazol-2-yl)-2-methoxyphenyl]-2-(4-chlorophenoxy)acetamide
CID 17093159
[1-(5-chloro-2-methoxyanilino)-1-oxopropan-2-yl] 2-phenyl-3H-benzimidazole-5-carboxylate
CID 23943861
4-(1H-benzimidazol-2-yl)-N-(2-fluorophenyl)benzamide
CID 100577627

Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide (CID 100578035) is 4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide is COc1ccc(Cl)cc1NC(=O)c1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide?
The InChIKey is WCZRPRHJFGTWFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16ClN3O2/c1-27-19-11-10-15(22)12-18(19)25-21(26)14-8-6-13(7-9-14)20-23-16-4-2-3-5-17(16)24-20/h2-12H,1H3,(H,23,24)(H,25,26).
What are the key properties of 4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide?
4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide has a molecular weight of 377.83 g/mol, XLogP of 5.14, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-N-(5-chloro-2-methoxyphenyl)benzamide is sourced from PubChem (CID 100578035), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).