2-bromo-1-methylimidazole

C4H5BrN2 — CID 2773262

IUPAC2-bromo-1-methylimidazole
SMILESCn1ccnc1Br
InChIInChI=1S/C4H5BrN2/c1-7-3-2-6-4(7)5/h2-3H,1H3
InChIKeyBANOTGHIHYMTDL-UHFFFAOYSA-N
MW161.00 g/mol
LogP1.18
Rot. Bonds

About 2-bromo-1-methylimidazole

2-bromo-1-methylimidazole (PubChem CID 2773262) has the molecular formula C4H5BrN2 and a molecular weight of 161.00 g/mol. Its IUPAC name is 2-bromo-1-methylimidazole.

Molecular Properties

Compound Name2-bromo-1-methylimidazole
PubChem CID2773262
Molecular FormulaC4H5BrN2
Molecular Weight161.00 g/mol
Exact Mass159.96
IUPAC Name2-bromo-1-methylimidazole
SMILESCn1ccnc1Br
InChIInChI=1S/C4H5BrN2/c1-7-3-2-6-4(7)5/h2-3H,1H3
InChIKeyBANOTGHIHYMTDL-UHFFFAOYSA-N
XLogP1.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms7
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.00
LogP ≤ 51.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-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

1-Methylimidazole
CID 1390
(Trimethylsilyl)imidazole
CID 28925
Butylimidazole
CID 61347
1,2-Dimethylimidazole
CID 15617
1-Vinylimidazole
CID 66171
1-Ethyl-3-methylimidazolium chloride
CID 2734160
1H-Imidazolium, 3-ethyl-1-methyl-, salt with N-cyanocyanamide (1:1)
CID 11159638
1-Pentyl-1H-imidazole
CID 529334
1-Butyl-3-methylimidazolium chloride
CID 2734161
1-Ethyl-3-methylimidazolium tetrafluoroborate
CID 2769348
1-Methyl-2-nitroimidazole
CID 15477
n-Propylimidazole
CID 118785

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-methylimidazole?
The IUPAC name of 2-bromo-1-methylimidazole (CID 2773262) is 2-bromo-1-methylimidazole.
What is the SMILES notation for 2-bromo-1-methylimidazole?
The canonical SMILES for 2-bromo-1-methylimidazole is Cn1ccnc1Br.
What is the InChIKey of 2-bromo-1-methylimidazole?
The InChIKey is BANOTGHIHYMTDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H5BrN2/c1-7-3-2-6-4(7)5/h2-3H,1H3.
What are the key properties of 2-bromo-1-methylimidazole?
2-bromo-1-methylimidazole has a molecular weight of 161.00 g/mol, XLogP of 1.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methylimidazole is sourced from PubChem (CID 2773262), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).