2-[(4-bromophenyl)methyl]-1H-benzimidazole

C14H11BrN2 — CID 14289791

IUPAC2-[(4-bromophenyl)methyl]-1H-benzimidazole
SMILESBrc1ccc(Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H11BrN2/c15-11-7-5-10(6-8-11)9-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17)
InChIKeyRCFICICMGDCINS-UHFFFAOYSA-N
MW287.16 g/mol
LogP3.92
Rot. Bonds2

About 2-[(4-bromophenyl)methyl]-1H-benzimidazole

2-[(4-bromophenyl)methyl]-1H-benzimidazole (PubChem CID 14289791) has the molecular formula C14H11BrN2 and a molecular weight of 287.16 g/mol. Its IUPAC name is 2-[(4-bromophenyl)methyl]-1H-benzimidazole.

Molecular Properties

Compound Name2-[(4-bromophenyl)methyl]-1H-benzimidazole
PubChem CID14289791
Molecular FormulaC14H11BrN2
Molecular Weight287.16 g/mol
Exact Mass286.01
IUPAC Name2-[(4-bromophenyl)methyl]-1H-benzimidazole
SMILESBrc1ccc(Cc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C14H11BrN2/c15-11-7-5-10(6-8-11)9-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17)
InChIKeyRCFICICMGDCINS-UHFFFAOYSA-N
XLogP3.92
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.16
LogP ≤ 53.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-[(4-bromophenyl)methyl]-1H-benzimidazole with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-[(4-bromophenyl)methyl]-1H-benzimidazole?
The IUPAC name of 2-[(4-bromophenyl)methyl]-1H-benzimidazole (CID 14289791) is 2-[(4-bromophenyl)methyl]-1H-benzimidazole.
What is the SMILES notation for 2-[(4-bromophenyl)methyl]-1H-benzimidazole?
The canonical SMILES for 2-[(4-bromophenyl)methyl]-1H-benzimidazole is Brc1ccc(Cc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 2-[(4-bromophenyl)methyl]-1H-benzimidazole?
The InChIKey is RCFICICMGDCINS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11BrN2/c15-11-7-5-10(6-8-11)9-14-16-12-3-1-2-4-13(12)17-14/h1-8H,9H2,(H,16,17).
What are the key properties of 2-[(4-bromophenyl)methyl]-1H-benzimidazole?
2-[(4-bromophenyl)methyl]-1H-benzimidazole has a molecular weight of 287.16 g/mol, XLogP of 3.92, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-bromophenyl)methyl]-1H-benzimidazole is sourced from PubChem (CID 14289791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).