N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide

C14H10ClN3O — CID 18847548

IUPACN-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H10ClN3O/c15-10-2-1-3-11(7-10)18-14(19)9-4-5-12-13(6-9)17-8-16-12/h1-8H,(H,16,17)(H,18,19)
InChIKeyFOLJRRSXJAHKGR-UHFFFAOYSA-N
MW271.71 g/mol
LogP3.47
Rot. Bonds2

About N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide

N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide (PubChem CID 18847548) has the molecular formula C14H10ClN3O and a molecular weight of 271.71 g/mol. Its IUPAC name is N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
PubChem CID18847548
Molecular FormulaC14H10ClN3O
Molecular Weight271.71 g/mol
Exact Mass271.05
IUPAC NameN-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide
SMILESO=C(Nc1cccc(Cl)c1)c1ccc2nc[nH]c2c1
InChIInChI=1S/C14H10ClN3O/c15-10-2-1-3-11(7-10)18-14(19)9-4-5-12-13(6-9)17-8-16-12/h1-8H,(H,16,17)(H,18,19)
InChIKeyFOLJRRSXJAHKGR-UHFFFAOYSA-N
XLogP3.47
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.71
LogP ≤ 53.47
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

N-(3-carbamoylphenyl)-3H-benzimidazole-5-carboxamide
CID 60630265
N-(3-acetamidophenyl)-3H-benzimidazole-5-carboxamide
CID 27259059
N-(3-chloro-4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 64788874
N-[4-[4-(3H-benzimidazole-5-carbonylamino)anilino]phenyl]-3H-benzimidazole-5-carboxamide
CID 67686736
N-(6-chloro-3-pyridinyl)-3H-benzimidazole-5-carboxamide
CID 78961453
N-quinoxalin-6-yl-3H-benzimidazole-5-carboxamide
CID 110743788
3-chloro-N-[3-[(3-chlorobenzoyl)amino]phenyl]benzamide
CID 1369981
N-(4-hydroxyphenyl)-3H-benzimidazole-5-carboxamide
CID 28739583
3-[[3-[(3-chlorobenzoyl)amino]benzoyl]amino]benzoate
CID 3383614
N-[(3-chlorophenyl)methyl]-3H-benzimidazole-5-carboxamide
CID 2548252
N-(2,3-dichlorophenyl)-3H-benzimidazole-5-carboxamide
CID 18847542
N-[1-(3-chlorophenyl)ethyl]-3H-benzimidazole-5-carboxamide
CID 42905894

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide (CID 18847548) is N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide is O=C(Nc1cccc(Cl)c1)c1ccc2nc[nH]c2c1.
What is the InChIKey of N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide?
The InChIKey is FOLJRRSXJAHKGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10ClN3O/c15-10-2-1-3-11(7-10)18-14(19)9-4-5-12-13(6-9)17-8-16-12/h1-8H,(H,16,17)(H,18,19).
What are the key properties of N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide?
N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide has a molecular weight of 271.71 g/mol, XLogP of 3.47, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-3H-benzimidazole-5-carboxamide is sourced from PubChem (CID 18847548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).