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

C17H14ClN3O — CID 110444805

IUPACN-[1-(3-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1(c2cccc(Cl)c2)CC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C17H14ClN3O/c18-13-3-1-2-12(9-13)17(6-7-17)21-16(22)11-4-5-14-15(8-11)20-10-19-14/h1-5,8-10H,6-7H2,(H,19,20)(H,21,22)
InChIKeyAYRKQHMXKGEEEV-UHFFFAOYSA-N
MW311.77 g/mol
LogP3.64
Rot. Bonds3

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

N-[1-(3-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide (PubChem CID 110444805) has the molecular formula C17H14ClN3O and a molecular weight of 311.77 g/mol. Its IUPAC name is N-[1-(3-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-[1-(3-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
PubChem CID110444805
Molecular FormulaC17H14ClN3O
Molecular Weight311.77 g/mol
Exact Mass311.08
IUPAC NameN-[1-(3-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
SMILESO=C(NC1(c2cccc(Cl)c2)CC1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C17H14ClN3O/c18-13-3-1-2-12(9-13)17(6-7-17)21-16(22)11-4-5-14-15(8-11)20-10-19-14/h1-5,8-10H,6-7H2,(H,19,20)(H,21,22)
InChIKeyAYRKQHMXKGEEEV-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-(4-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide
CID 110444802
N-[1-(3-chlorophenyl)cyclopropyl]-4-fluorobenzamide
CID 110441685
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847548
N-[1-(3-chlorophenyl)cyclopropyl]-4-methylbenzamide
CID 110440424
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 2548252
N-[1-(3-chlorophenyl)cyclopropyl]pyridine-2-carboxamide
CID 110444338
N-[1-(3-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 42905894
[1-(3-chlorophenyl)cyclopropyl]carbamic acid
CID 122529573
2,5-dichloro-N-[1-(3-chlorophenyl)cyclopropyl]benzamide
CID 110440796
N-[1-(3-chlorophenyl)cyclopentyl]-1H-pyrazole-4-carboxamide
CID 136515658
N-(5-chloropyrazin-2-yl)-3H-benzimidazole-5-carboxamide
CID 107595732
N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847542

Frequently Asked Questions

What is the IUPAC name of N-[1-(3-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-[1-(3-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide (CID 110444805) is N-[1-(3-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-[1-(3-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-[1-(3-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide is O=C(NC1(c2cccc(Cl)c2)CC1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-[1-(3-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide?
The InChIKey is AYRKQHMXKGEEEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14ClN3O/c18-13-3-1-2-12(9-13)17(6-7-17)21-16(22)11-4-5-14-15(8-11)20-10-19-14/h1-5,8-10H,6-7H2,(H,19,20)(H,21,22).
What are the key properties of N-[1-(3-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide?
N-[1-(3-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-(3-chlorophenyl)cyclopropyl]-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 110444805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).