2-(3-bromophenyl)-1-(2-methylpropyl)benzimidazole

C17H17BrN2 — CID 962449

IUPAC2-(3-bromophenyl)-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(-c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C17H17BrN2/c1-12(2)11-20-16-9-4-3-8-15(16)19-17(20)13-6-5-7-14(18)10-13/h3-10,12H,11H2,1-2H3
InChIKeyJBSZHKWHSPKZLP-UHFFFAOYSA-N
MW329.24 g/mol
LogP5.12
Rot. Bonds3

About 2-(3-bromophenyl)-1-(2-methylpropyl)benzimidazole

2-(3-bromophenyl)-1-(2-methylpropyl)benzimidazole (PubChem CID 962449) has the molecular formula C17H17BrN2 and a molecular weight of 329.24 g/mol. Its IUPAC name is 2-(3-bromophenyl)-1-(2-methylpropyl)benzimidazole.

Molecular Properties

Compound Name2-(3-bromophenyl)-1-(2-methylpropyl)benzimidazole
PubChem CID962449
Molecular FormulaC17H17BrN2
Molecular Weight329.24 g/mol
Exact Mass328.06
IUPAC Name2-(3-bromophenyl)-1-(2-methylpropyl)benzimidazole
SMILESCC(C)Cn1c(-c2cccc(Br)c2)nc2ccccc21
InChIInChI=1S/C17H17BrN2/c1-12(2)11-20-16-9-4-3-8-15(16)19-17(20)13-6-5-7-14(18)10-13/h3-10,12H,11H2,1-2H3
InChIKeyJBSZHKWHSPKZLP-UHFFFAOYSA-N
XLogP5.12
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500329.24
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-(3-bromophenyl)-1-(2-methylpropyl)benzimidazole 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

Lerisetron
CID 65997
2-amino-1-((4-fluorophenyl)methyl)-1H-benzimidazole
CID 3019305
1-Benzyl-1H-benzimidazole
CID 563347
1-Benzyl-2-phenylbenzimidazole
CID 1221687
1-Benzyl-2-methylbenzimidazole
CID 759305
3-(1-benzyl-1H-benzimidazol-2-yl)propan-1-ol
CID 2872475
2-Cyclohexyl-1-methylbenzimidazole
CID 2991075
1-methyl-2-(2-phenylvinyl)-1H-benzimidazole
CID 5708370
2-(2-Bromophenyl)-1H-benzimidazole
CID 97511
1-[(4-fluorophenyl)methyl]-1H-1,3-benzodiazole
CID 755572
2-(3-Bromophenyl)benzimidazole
CID 278822
1,2-dibenzyl-1H-1,3-benzodiazole
CID 1350539

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromophenyl)-1-(2-methylpropyl)benzimidazole?
The IUPAC name of 2-(3-bromophenyl)-1-(2-methylpropyl)benzimidazole (CID 962449) is 2-(3-bromophenyl)-1-(2-methylpropyl)benzimidazole.
What is the SMILES notation for 2-(3-bromophenyl)-1-(2-methylpropyl)benzimidazole?
The canonical SMILES for 2-(3-bromophenyl)-1-(2-methylpropyl)benzimidazole is CC(C)Cn1c(-c2cccc(Br)c2)nc2ccccc21.
What is the InChIKey of 2-(3-bromophenyl)-1-(2-methylpropyl)benzimidazole?
The InChIKey is JBSZHKWHSPKZLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17BrN2/c1-12(2)11-20-16-9-4-3-8-15(16)19-17(20)13-6-5-7-14(18)10-13/h3-10,12H,11H2,1-2H3.
What are the key properties of 2-(3-bromophenyl)-1-(2-methylpropyl)benzimidazole?
2-(3-bromophenyl)-1-(2-methylpropyl)benzimidazole has a molecular weight of 329.24 g/mol, XLogP of 5.12, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromophenyl)-1-(2-methylpropyl)benzimidazole is sourced from PubChem (CID 962449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).