2-bromo-1-methyl-4-thiophen-3-ylimidazole

C8H7BrN2S — CID 45141479

IUPAC2-bromo-1-methyl-4-thiophen-3-ylimidazole
SMILESCn1cc(-c2ccsc2)nc1Br
InChIInChI=1S/C8H7BrN2S/c1-11-4-7(10-8(11)9)6-2-3-12-5-6/h2-5H,1H3
InChIKeyVVGWGVKOIJORCG-UHFFFAOYSA-N
MW243.13 g/mol
LogP2.91
Rot. Bonds1

About 2-bromo-1-methyl-4-thiophen-3-ylimidazole

2-bromo-1-methyl-4-thiophen-3-ylimidazole (PubChem CID 45141479) has the molecular formula C8H7BrN2S and a molecular weight of 243.13 g/mol. Its IUPAC name is 2-bromo-1-methyl-4-thiophen-3-ylimidazole.

Molecular Properties

Compound Name2-bromo-1-methyl-4-thiophen-3-ylimidazole
PubChem CID45141479
Molecular FormulaC8H7BrN2S
Molecular Weight243.13 g/mol
Exact Mass241.95
IUPAC Name2-bromo-1-methyl-4-thiophen-3-ylimidazole
SMILESCn1cc(-c2ccsc2)nc1Br
InChIInChI=1S/C8H7BrN2S/c1-11-4-7(10-8(11)9)6-2-3-12-5-6/h2-5H,1H3
InChIKeyVVGWGVKOIJORCG-UHFFFAOYSA-N
XLogP2.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.13
LogP ≤ 52.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 2-bromo-1-methyl-4-thiophen-3-ylimidazole 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-bromo-1-methyl-4-thiophen-3-ylimidazole?
The IUPAC name of 2-bromo-1-methyl-4-thiophen-3-ylimidazole (CID 45141479) is 2-bromo-1-methyl-4-thiophen-3-ylimidazole.
What is the SMILES notation for 2-bromo-1-methyl-4-thiophen-3-ylimidazole?
The canonical SMILES for 2-bromo-1-methyl-4-thiophen-3-ylimidazole is Cn1cc(-c2ccsc2)nc1Br.
What is the InChIKey of 2-bromo-1-methyl-4-thiophen-3-ylimidazole?
The InChIKey is VVGWGVKOIJORCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7BrN2S/c1-11-4-7(10-8(11)9)6-2-3-12-5-6/h2-5H,1H3.
What are the key properties of 2-bromo-1-methyl-4-thiophen-3-ylimidazole?
2-bromo-1-methyl-4-thiophen-3-ylimidazole has a molecular weight of 243.13 g/mol, XLogP of 2.91, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-methyl-4-thiophen-3-ylimidazole is sourced from PubChem (CID 45141479), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).