N-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide

C17H14ClN3O — CID 110444802

IUPACN-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1(c2ccc(Cl)cc2)CC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C17H14ClN3O/c18-13-4-2-12(3-5-13)17(7-8-17)21-16(22)11-1-6-14-15(9-11)20-10-19-14/h1-6,9-10H,7-8H2,(H,19,20)(H,21,22)
InChIKeyAPHHQFGWNCYLIV-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.64
Rot. Bonds3

About N-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide

N-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide (PubChem CID 110444802) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
PubChem CID110444802
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC NameN-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1(c2ccc(Cl)cc2)CC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C17H14ClN3O/c18-13-4-2-12(3-5-13)17(7-8-17)21-16(22)11-1-6-14-15(9-11)20-10-19-14/h1-6,9-10H,7-8H2,(H,19,20)(H,21,22)
InChIKeyAPHHQFGWNCYLIV-UHFFFAOYSA-N
XLogP3.64
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.77
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-[1-(3-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
CID 110444805
N-[1-(4-chlorophenyl)cyclopropyl]-3-methylbenzamide
CID 110441479
N-(5-chloropyrazin-2-yl)-3H-benzimidazole-5-carboxamide
CID 107595732
N-[1-(4-chlorophenyl)cyclopropyl]-3-(dimethylamino)benzamide
CID 110444402
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
N-[4-(hydroxymethyl)oxan-4-yl]-3H-benzimidazole-5-carboxamide
CID 106297402
N-[2-[(4-chlorophenyl)sulfonylamino]ethyl]-3H-benzimidazole-5-carboxamide
CID 108573390
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-(2-chloropyrimidin-4-yl)-3H-benzimidazole-5-carboxamide
CID 116795202
3,4-dichloro-N-(1-phenylcyclopropyl)benzamide
CID 110444165
bis(3H-benzimidazol-5-yl)methanone
CID 71332789
[1-(aminomethyl)cyclopropyl]-(3H-benzimidazol-5-yl)methanone
CID 116921281

Frequently Asked Questions

What is the IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide (CID 110444802) is N-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide is O=C(NC1(c2ccc(Cl)cc2)CC1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is APHHQFGWNCYLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-13-4-2-12(3-5-13)17(7-8-17)21-16(22)11-1-6-14-15(9-11)20-10-19-14/h1-6,9-10H,7-8H2,(H,19,20)(H,21,22).
What are the key properties of N-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide?
N-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide has a molecular weight of 311.77 g/mol, XLogP of 3.64, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110444802), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).