5-bromo-1-methyl-2-methylsulfanylbenzimidazole

C9H9BrN2S — CID 83679153

IUPAC5-bromo-1-methyl-2-methylsulfanylbenzimidazole
SMILESCSc1nc2cc(Br)ccc2n1C
InChIInChI=1S/C9H9BrN2S/c1-12-8-4-3-6(10)5-7(8)11-9(12)13-2/h3-5H,1-2H3
InChIKeyVAMAJBMVYZMTQO-UHFFFAOYSA-N
MW257.16 g/mol
LogP3.06
Rot. Bonds1

About 5-bromo-1-methyl-2-methylsulfanylbenzimidazole

5-bromo-1-methyl-2-methylsulfanylbenzimidazole (PubChem CID 83679153) has the molecular formula C9H9BrN2S and a molecular weight of 257.16 g/mol. Its IUPAC name is 5-bromo-1-methyl-2-methylsulfanylbenzimidazole.

Molecular Properties

Compound Name5-bromo-1-methyl-2-methylsulfanylbenzimidazole
PubChem CID83679153
Molecular FormulaC9H9BrN2S
Molecular Weight257.16 g/mol
Exact Mass255.97
IUPAC Name5-bromo-1-methyl-2-methylsulfanylbenzimidazole
SMILESCSc1nc2cc(Br)ccc2n1C
InChIInChI=1S/C9H9BrN2S/c1-12-8-4-3-6(10)5-7(8)11-9(12)13-2/h3-5H,1-2H3
InChIKeyVAMAJBMVYZMTQO-UHFFFAOYSA-N
XLogP3.06
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.16
LogP ≤ 53.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-bromo-1-methyl-2-methylsulfanylbenzimidazole 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-methyl-2-methylsulfanyl-5-(trifluoromethyl)benzimidazole
CID 134095240
5-bromo-2-ethyl-1-methylbenzimidazole
CID 84701099
3-(aminomethyl)-6-bromo-1-methylquinoxalin-2-one
CID 117274808
N-(4-bromo-2-fluorophenyl)-2-(5-chloro-1-methylbenzimidazol-2-yl)sulfanylacetamide
CID 52644614
5-(5-bromo-1-methylbenzimidazol-2-yl)-2,4-difluoroaniline
CID 60836698
5-bromo-1-methyl-2-(5-methyl-2-pyridinyl)benzimidazole
CID 91644628
6-bromo-1-methyl-3-phenylquinoxalin-2-one
CID 132610074
1-(5-bromo-1-methylbenzimidazol-2-yl)cyclohexan-1-amine
CID 61290827
2-(4-bromophenyl)-1-methylbenzimidazol-5-amine
CID 83969010
2-[(2,4-dibromophenyl)methylsulfanyl]-1-methylbenzimidazole bromide
CID 21203591
5-bromo-1-methyl-2-(1-methylbenzimidazol-5-yl)benzimidazole
CID 177401759
1-(5-bromo-1-methylbenzimidazol-2-yl)-1-cyclopropylethanamine
CID 64669671

Frequently Asked Questions

What is the IUPAC name of 5-bromo-1-methyl-2-methylsulfanylbenzimidazole?
The IUPAC name of 5-bromo-1-methyl-2-methylsulfanylbenzimidazole (CID 83679153) is 5-bromo-1-methyl-2-methylsulfanylbenzimidazole.
What is the SMILES notation for 5-bromo-1-methyl-2-methylsulfanylbenzimidazole?
The canonical SMILES for 5-bromo-1-methyl-2-methylsulfanylbenzimidazole is CSc1nc2cc(Br)ccc2n1C.
What is the InChIKey of 5-bromo-1-methyl-2-methylsulfanylbenzimidazole?
The InChIKey is VAMAJBMVYZMTQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H9BrN2S/c1-12-8-4-3-6(10)5-7(8)11-9(12)13-2/h3-5H,1-2H3.
What are the key properties of 5-bromo-1-methyl-2-methylsulfanylbenzimidazole?
5-bromo-1-methyl-2-methylsulfanylbenzimidazole has a molecular weight of 257.16 g/mol, XLogP of 3.06, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-1-methyl-2-methylsulfanylbenzimidazole is sourced from PubChem (CID 83679153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).