2-(4-bromophenyl)-1-methylbenzimidazol-5-amine

C14H12BrN3 — CID 83969010

IUPAC2-(4-bromophenyl)-1-methylbenzimidazol-5-amine
SMILESCn1c(-c2ccc(Br)cc2)nc2cc(N)ccc21
InChIInChI=1S/C14H12BrN3/c1-18-13-7-6-11(16)8-12(13)17-14(18)9-2-4-10(15)5-3-9/h2-8H,16H2,1H3
InChIKeyVNPLURSWPUOEAE-UHFFFAOYSA-N
MW302.18 g/mol
LogP3.59
Rot. Bonds1

About 2-(4-bromophenyl)-1-methylbenzimidazol-5-amine

2-(4-bromophenyl)-1-methylbenzimidazol-5-amine (PubChem CID 83969010) has the molecular formula C14H12BrN3 and a molecular weight of 302.18 g/mol. Its IUPAC name is 2-(4-bromophenyl)-1-methylbenzimidazol-5-amine.

Molecular Properties

Compound Name2-(4-bromophenyl)-1-methylbenzimidazol-5-amine
PubChem CID83969010
Molecular FormulaC14H12BrN3
Molecular Weight302.18 g/mol
Exact Mass301.02
IUPAC Name2-(4-bromophenyl)-1-methylbenzimidazol-5-amine
SMILESCn1c(-c2ccc(Br)cc2)nc2cc(N)ccc21
InChIInChI=1S/C14H12BrN3/c1-18-13-7-6-11(16)8-12(13)17-14(18)9-2-4-10(15)5-3-9/h2-8H,16H2,1H3
InChIKeyVNPLURSWPUOEAE-UHFFFAOYSA-N
XLogP3.59
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.18
LogP ≤ 53.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

Analyze 2-(4-bromophenyl)-1-methylbenzimidazol-5-amine 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-(4-bromophenyl)-1-methylbenzimidazole-5-carboxylic acid
CID 63893020
4-(1,6-dimethylbenzimidazol-2-yl)aniline
CID 84628854
5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole
CID 177401759
1-methyl-2-thiophen-2-ylbenzimidazol-5-amine
CID 615219
5-(5-bromo-1-methylbenzimidazol-2-yl)-4-methyl-1,3-thiazol-2-amine
CID 62792169
5-(5-bromo-1-methylbenzimidazol-2-yl)-2,4-difluoroaniline
CID 60836698
2-(5-bromo-1-methylbenzimidazol-2-yl)-4-methylthiophen-3-amine
CID 114915452
3-(5-bromo-1-methylbenzimidazol-2-yl)-4,5-dimethylthiophen-2-amine
CID 60783314
2-(4-chlorophenyl)-1-ethylbenzimidazol-5-amine
CID 83813225
4-bromo-3-(1-methylbenzimidazol-2-yl)aniline
CID 113281116
5-bromo-2-(2,3-dihydro-1H-indol-5-yl)-1-methylbenzimidazole
CID 60784272
1-methyl-2-[4-(1-methyl-5-nitrobenzimidazol-2-yl)phenyl]-5-nitrobenzimidazole
CID 138618315

Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-1-methylbenzimidazol-5-amine?
The IUPAC name of 2-(4-bromophenyl)-1-methylbenzimidazol-5-amine (CID 83969010) is 2-(4-bromophenyl)-1-methylbenzimidazol-5-amine.
What is the SMILES notation for 2-(4-bromophenyl)-1-methylbenzimidazol-5-amine?
The canonical SMILES for 2-(4-bromophenyl)-1-methylbenzimidazol-5-amine is Cn1c(-c2ccc(Br)cc2)nc2cc(N)ccc21.
What is the InChIKey of 2-(4-bromophenyl)-1-methylbenzimidazol-5-amine?
The InChIKey is VNPLURSWPUOEAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12BrN3/c1-18-13-7-6-11(16)8-12(13)17-14(18)9-2-4-10(15)5-3-9/h2-8H,16H2,1H3.
What are the key properties of 2-(4-bromophenyl)-1-methylbenzimidazol-5-amine?
2-(4-bromophenyl)-1-methylbenzimidazol-5-amine has a molecular weight of 302.18 g/mol, XLogP of 3.59, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-1-methylbenzimidazol-5-amine is sourced from PubChem (CID 83969010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).