N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide

C20H14BrN3O — CID 121080165

IUPACN-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C20H14BrN3O/c21-15-7-9-16(10-8-15)23-20(25)14-6-11-19-18(12-14)22-13-24(19)17-4-2-1-3-5-17/h1-13H,(H,23,25)
InChIKeyLBIPKZAOKCNRNC-UHFFFAOYSA-N
MW392.26 g/mol
LogP5.04
Rot. Bonds3

About N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide

N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide (PubChem CID 121080165) has the molecular formula C20H14BrN3O and a molecular weight of 392.26 g/mol. Its IUPAC name is N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide.

Molecular Properties

Compound NameN-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide
PubChem CID121080165
Molecular FormulaC20H14BrN3O
Molecular Weight392.26 g/mol
Exact Mass391.03
IUPAC NameN-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide
SMILESO=C(Nc1ccc(Br)cc1)c1ccc2c(c1)ncn2-c1ccccc1
InChIInChI=1S/C20H14BrN3O/c21-15-7-9-16(10-8-15)23-20(25)14-6-11-19-18(12-14)22-13-24(19)17-4-2-1-3-5-17/h1-13H,(H,23,25)
InChIKeyLBIPKZAOKCNRNC-UHFFFAOYSA-N
XLogP5.04
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500392.26
LogP ≤ 55.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

1-(4-bromophenyl)benzimidazole-5-carboxylate
CID 4525786
4-(5-bromobenzimidazol-1-yl)benzoic acid
CID 167161055
5-(aminomethyl)-N-(1-phenylbenzimidazol-5-yl)pyridine-3-carboxamide
CID 167894502
1-(3-bromophenyl)benzimidazole-5-carboxylic acid;ethane
CID 143546276
4-bromo-N-(2-phenylbenzotriazol-5-yl)benzamide
CID 3116199
ethyl N-[2-[[(E)-3-[4-[(1-phenylbenzimidazole-5-carbonyl)amino]phenyl]prop-2-enoyl]amino]phenyl]carbamate
CID 171714521
N-[4-(benzimidazol-1-yl)phenyl]-2-bromobenzamide
CID 46688452
ethyl 1-phenylbenzimidazole-5-carboxylate
CID 175878732
N-(4-bromophenyl)-2-(2,6-dimethylanilino)-1-methylbenzimidazole-5-carboxamide
CID 58562326
1-phenyl-N-[(4-phenylmethoxyphenyl)methyl]benzimidazole-5-carboxamide
CID 121080191
N-(3-acetylphenyl)-4-oxo-3-phenylquinazoline-7-carboxamide
CID 39333619
N-[4-(benzimidazol-1-yl)phenyl]-3-nitrobenzamide
CID 46642196

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide?
The IUPAC name of N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide (CID 121080165) is N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide.
What is the SMILES notation for N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide?
The canonical SMILES for N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide is O=C(Nc1ccc(Br)cc1)c1ccc2c(c1)ncn2-c1ccccc1.
What is the InChIKey of N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide?
The InChIKey is LBIPKZAOKCNRNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H14BrN3O/c21-15-7-9-16(10-8-15)23-20(25)14-6-11-19-18(12-14)22-13-24(19)17-4-2-1-3-5-17/h1-13H,(H,23,25).
What are the key properties of N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide?
N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide has a molecular weight of 392.26 g/mol, XLogP of 5.04, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-1-phenylbenzimidazole-5-carboxamide is sourced from PubChem (CID 121080165), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).