2-(benzimidazol-1-yl)-4-bromobenzamide

C14H10BrN3O — CID 114907649

IUPAC2-(benzimidazol-1-yl)-4-bromobenzamide
SMILESNC(=O)c1ccc(Br)cc1-n1cnc2ccccc21
InChIInChI=1S/C14H10BrN3O/c15-9-5-6-10(14(16)19)13(7-9)18-8-17-11-3-1-2-4-12(11)18/h1-8H,(H2,16,19)
InChIKeyTUJUDBUBMPNYBQ-UHFFFAOYSA-N
MW316.16 g/mol
LogP2.89
Rot. Bonds2

About 2-(benzimidazol-1-yl)-4-bromobenzamide

2-(benzimidazol-1-yl)-4-bromobenzamide (PubChem CID 114907649) has the molecular formula C14H10BrN3O and a molecular weight of 316.16 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-4-bromobenzamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-4-bromobenzamide
PubChem CID114907649
Molecular FormulaC14H10BrN3O
Molecular Weight316.16 g/mol
Exact Mass315.00
IUPAC Name2-(benzimidazol-1-yl)-4-bromobenzamide
SMILESNC(=O)c1ccc(Br)cc1-n1cnc2ccccc21
InChIInChI=1S/C14H10BrN3O/c15-9-5-6-10(14(16)19)13(7-9)18-8-17-11-3-1-2-4-12(11)18/h1-8H,(H2,16,19)
InChIKeyTUJUDBUBMPNYBQ-UHFFFAOYSA-N
XLogP2.89
TPSA60.91 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.16
LogP ≤ 52.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 2-(benzimidazol-1-yl)-4-bromobenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-(benzimidazol-1-yl)-5-bromobenzamide
CID 114896304
2-(benzimidazol-1-yl)-4-chlorobenzoic acid
CID 63082519
4-bromo-2-(5,6-dimethylbenzimidazol-1-yl)benzoic acid
CID 43364788
2-(benzimidazol-1-yl)-4-chloro-N'-hydroxybenzenecarboximidamide
CID 76984718
4-bromo-2-(1,2,4-triazol-1-yl)benzamide
CID 115773784
1-[2-(benzimidazol-1-yl)-4-methoxyphenyl]-2,2-dimethylpropan-1-one
CID 163284683
2-(benzimidazol-1-yl)-6-bromo-N'-hydroxybenzenecarboximidamide
CID 114883369
1-(5-bromo-2-methylphenyl)benzimidazole-5-carboxylic acid
CID 43806541
4-(benzimidazol-1-yl)thiophene-2-carboxamide
CID 50970159
2-(benzimidazol-1-yl)-5-fluorobenzoic acid
CID 43313103
5-(benzimidazol-1-yl)thiophene-2-carboxamide
CID 58284917
6-(benzimidazol-1-yl)pyridine-3-carboxamide
CID 90958614

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-4-bromobenzamide?
The IUPAC name of 2-(benzimidazol-1-yl)-4-bromobenzamide (CID 114907649) is 2-(benzimidazol-1-yl)-4-bromobenzamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-4-bromobenzamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-4-bromobenzamide is NC(=O)c1ccc(Br)cc1-n1cnc2ccccc21.
What is the InChIKey of 2-(benzimidazol-1-yl)-4-bromobenzamide?
The InChIKey is TUJUDBUBMPNYBQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN3O/c15-9-5-6-10(14(16)19)13(7-9)18-8-17-11-3-1-2-4-12(11)18/h1-8H,(H2,16,19).
What are the key properties of 2-(benzimidazol-1-yl)-4-bromobenzamide?
2-(benzimidazol-1-yl)-4-bromobenzamide has a molecular weight of 316.16 g/mol, XLogP of 2.89, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-4-bromobenzamide is sourced from PubChem (CID 114907649), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).