4-(3-bromophenyl)-1-methylimidazole

C10H9BrN2 — CID 54081748

IUPAC4-(3-bromophenyl)-1-methylimidazole
SMILESCn1cnc(-c2cccc(Br)c2)c1
InChIInChI=1S/C10H9BrN2/c1-13-6-10(12-7-13)8-3-2-4-9(11)5-8/h2-7H,1H3
InChIKeyMNPNCOFXZACPQV-UHFFFAOYSA-N
MW237.10 g/mol
LogP2.85
Rot. Bonds1

About 4-(3-bromophenyl)-1-methylimidazole

4-(3-bromophenyl)-1-methylimidazole (PubChem CID 54081748) has the molecular formula C10H9BrN2 and a molecular weight of 237.10 g/mol. Its IUPAC name is 4-(3-bromophenyl)-1-methylimidazole.

Molecular Properties

Compound Name4-(3-bromophenyl)-1-methylimidazole
PubChem CID54081748
Molecular FormulaC10H9BrN2
Molecular Weight237.10 g/mol
Exact Mass235.99
IUPAC Name4-(3-bromophenyl)-1-methylimidazole
SMILESCn1cnc(-c2cccc(Br)c2)c1
InChIInChI=1S/C10H9BrN2/c1-13-6-10(12-7-13)8-3-2-4-9(11)5-8/h2-7H,1H3
InChIKeyMNPNCOFXZACPQV-UHFFFAOYSA-N
XLogP2.85
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.10
LogP ≤ 52.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 4-(3-bromophenyl)-1-methylimidazole 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

3-(1-methylimidazol-4-yl)benzoic acid
CID 82608062
4-(1-methylimidazol-4-yl)pyridin-2-amine
CID 130509091
3-(3-bromophenyl)-1-propylpyrazol-5-amine
CID 61265517
5-(3-bromophenyl)-1,3-dimethylpyrazole
CID 116856814
2-[3-(3-bromophenyl)pyrazol-1-yl]-N,N-dimethylethanamine
CID 174281204
6-(3-bromophenyl)imidazo[1,2-a]pyrazine-2-carbonitrile
CID 146313542
1-[6-(3-bromophenyl)-1,2,4-triazin-3-yl]ethanone
CID 82378720
2-(3-bromophenyl)imidazo[1,2-a]pyrimidine
CID 14913301
2-(3-bromophenyl)imidazo[1,2-a]pyridine;ethane
CID 123472664
2-(3-bromophenyl)-4-propan-2-ylpyridine
CID 118651864
2-(3-bromophenyl)pyrimidine
CID 26967381
4-(3-bromophenyl)-2,6-diphenylpyrimidine;ethane
CID 142385026

Frequently Asked Questions

What is the IUPAC name of 4-(3-bromophenyl)-1-methylimidazole?
The IUPAC name of 4-(3-bromophenyl)-1-methylimidazole (CID 54081748) is 4-(3-bromophenyl)-1-methylimidazole.
What is the SMILES notation for 4-(3-bromophenyl)-1-methylimidazole?
The canonical SMILES for 4-(3-bromophenyl)-1-methylimidazole is Cn1cnc(-c2cccc(Br)c2)c1.
What is the InChIKey of 4-(3-bromophenyl)-1-methylimidazole?
The InChIKey is MNPNCOFXZACPQV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H9BrN2/c1-13-6-10(12-7-13)8-3-2-4-9(11)5-8/h2-7H,1H3.
What are the key properties of 4-(3-bromophenyl)-1-methylimidazole?
4-(3-bromophenyl)-1-methylimidazole has a molecular weight of 237.10 g/mol, XLogP of 2.85, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(3-bromophenyl)-1-methylimidazole is sourced from PubChem (CID 54081748), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).