2-bromo-1-ethyl-5-methylbenzimidazole

C10H11BrN2 — CID 84799459

IUPAC2-bromo-1-ethyl-5-methylbenzimidazole
SMILESCCn1c(Br)nc2cc(C)ccc21
InChIInChI=1S/C10H11BrN2/c1-3-13-9-5-4-7(2)6-8(9)12-10(13)11/h4-6H,3H2,1-2H3
InChIKeyYHHROZFCSRDZMM-UHFFFAOYSA-N
MW239.12 g/mol
LogP3.13
Rot. Bonds1

About 2-bromo-1-ethyl-5-methylbenzimidazole

2-bromo-1-ethyl-5-methylbenzimidazole (PubChem CID 84799459) has the molecular formula C10H11BrN2 and a molecular weight of 239.12 g/mol. Its IUPAC name is 2-bromo-1-ethyl-5-methylbenzimidazole.

Molecular Properties

Compound Name2-bromo-1-ethyl-5-methylbenzimidazole
PubChem CID84799459
Molecular FormulaC10H11BrN2
Molecular Weight239.12 g/mol
Exact Mass238.01
IUPAC Name2-bromo-1-ethyl-5-methylbenzimidazole
SMILESCCn1c(Br)nc2cc(C)ccc21
InChIInChI=1S/C10H11BrN2/c1-3-13-9-5-4-7(2)6-8(9)12-10(13)11/h4-6H,3H2,1-2H3
InChIKeyYHHROZFCSRDZMM-UHFFFAOYSA-N
XLogP3.13
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.12
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze 2-bromo-1-ethyl-5-methylbenzimidazole 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-bromo-5-methyl-1-propylbenzimidazole
CID 84804393
2-(2-chloroethyl)-1-ethyl-5-methylbenzimidazole
CID 43666424
2-(1-ethyl-5-methylbenzimidazol-2-yl)propan-1-amine
CID 62675893
1-amino-1-(1-ethyl-5-methylbenzimidazol-2-yl)propan-2-ol
CID 60785614
2-[4-(chloromethyl)phenyl]-1-ethyl-5-methylbenzimidazole
CID 60785471
4-[(1-ethyl-5-methylbenzimidazol-2-yl)methylamino]phenol
CID 60836347
5-(1-ethyl-5-methylbenzimidazol-2-yl)-3,3-dimethylpentan-1-amine
CID 65284176
3-(1-ethyl-5-methylbenzimidazol-2-yl)pyrazin-2-amine
CID 63262209
3-(1-ethyl-5-methylbenzimidazol-2-yl)-2-methylphenol
CID 82829202
2-bromo-5-(5-methyl-1-propylbenzimidazol-2-yl)aniline
CID 107812775
2-(1-ethyl-5-methylbenzimidazol-2-yl)-3-fluorophenol
CID 136678120
N-[(1-ethyl-5-methylbenzimidazol-2-yl)methyl]pyridin-4-amine
CID 14456529

Frequently Asked Questions

What is the IUPAC name of 2-bromo-1-ethyl-5-methylbenzimidazole?
The IUPAC name of 2-bromo-1-ethyl-5-methylbenzimidazole (CID 84799459) is 2-bromo-1-ethyl-5-methylbenzimidazole.
What is the SMILES notation for 2-bromo-1-ethyl-5-methylbenzimidazole?
The canonical SMILES for 2-bromo-1-ethyl-5-methylbenzimidazole is CCn1c(Br)nc2cc(C)ccc21.
What is the InChIKey of 2-bromo-1-ethyl-5-methylbenzimidazole?
The InChIKey is YHHROZFCSRDZMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11BrN2/c1-3-13-9-5-4-7(2)6-8(9)12-10(13)11/h4-6H,3H2,1-2H3.
What are the key properties of 2-bromo-1-ethyl-5-methylbenzimidazole?
2-bromo-1-ethyl-5-methylbenzimidazole has a molecular weight of 239.12 g/mol, XLogP of 3.13, 1 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-bromo-1-ethyl-5-methylbenzimidazole is sourced from PubChem (CID 84799459), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).