2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide

C20H14ClN3O2 — CID 122690329

IUPAC2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2nc(-c3ccc(-c4cccc(Cl)c4)cc3)[nH]c2c1
InChIInChI=1S/C20H14ClN3O2/c21-16-3-1-2-14(10-16)12-4-6-13(7-5-12)19-22-17-9-8-15(20(25)24-26)11-18(17)23-19/h1-11,26H,(H,22,23)(H,24,25)
InChIKeyYQAMPEJAOAWCIR-UHFFFAOYSA-N
MW363.80 g/mol
LogP4.67
Rot. Bonds3

About 2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide

2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide (PubChem CID 122690329) has the molecular formula C20H14ClN3O2 and a molecular weight of 363.80 g/mol. Its IUPAC name is 2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound Name2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide
PubChem CID122690329
Molecular FormulaC20H14ClN3O2
Molecular Weight363.80 g/mol
Exact Mass363.08
IUPAC Name2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide
SMILESO=C(NO)c1ccc2nc(-c3ccc(-c4cccc(Cl)c4)cc3)[nH]c2c1
InChIInChI=1S/C20H14ClN3O2/c21-16-3-1-2-14(10-16)12-4-6-13(7-5-12)19-22-17-9-8-15(20(25)24-26)11-18(17)23-19/h1-11,26H,(H,22,23)(H,24,25)
InChIKeyYQAMPEJAOAWCIR-UHFFFAOYSA-N
XLogP4.67
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.80
LogP ≤ 54.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydroxamic_acid', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

N-hydroxy-2-(3-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690127
2-[5-(3-chlorophenyl)furan-2-yl]-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690364
N-hydroxy-2-[3-(4-methylsulfonylphenyl)phenyl]-3H-benzimidazole-5-carboxamide
CID 122690253
N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 122690134
2-(4-tert-butylphenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690183
N-hydroxy-2-naphthalen-2-yl-3H-benzimidazole-5-carboxamide
CID 122690256
N-hydroxy-2-(2-phenylphenyl)-3H-benzimidazole-5-carboxamide
CID 122690172
2-(2-chlorophenyl)-N-hydroxy-3H-benzimidazole-5-carboxamide
CID 122690291
2-phenyl-3H-benzimidazole-5-carbohydrazide
CID 17010632
2-(4-bromophenyl)-3H-benzimidazole-5-carbohydrazide
CID 91673674
methyl 2-(4-chlorophenyl)-3H-benzimidazole-5-carboxylate
CID 3008656
4-(6-chloro-1H-benzimidazol-2-yl)-N-ethylbenzamide
CID 100579654

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide?
The IUPAC name of 2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide (CID 122690329) is 2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for 2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide?
The canonical SMILES for 2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide is O=C(NO)c1ccc2nc(-c3ccc(-c4cccc(Cl)c4)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide?
The InChIKey is YQAMPEJAOAWCIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14ClN3O2/c21-16-3-1-2-14(10-16)12-4-6-13(7-5-12)19-22-17-9-8-15(20(25)24-26)11-18(17)23-19/h1-11,26H,(H,22,23)(H,24,25).
What are the key properties of 2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide?
2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide has a molecular weight of 363.80 g/mol, XLogP of 4.67, 3 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(3-chlorophenyl)phenyl]-N-hydroxy-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 122690329), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).