1-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-6-methylbenzimidazole

C17H16BrClN2 — CID 107576187

IUPAC1-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-6-methylbenzimidazole
SMILESCc1cc(Br)cc(-n2c(CCCl)nc3ccc(C)cc32)c1
InChIInChI=1S/C17H16BrClN2/c1-11-3-4-15-16(9-11)21(17(20-15)5-6-19)14-8-12(2)7-13(18)10-14/h3-4,7-10H,5-6H2,1-2H3
InChIKeyGESWNCGHPXGLAT-UHFFFAOYSA-N
MW363.69 g/mol
LogP5.19
Rot. Bonds3

About 1-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-6-methylbenzimidazole

1-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-6-methylbenzimidazole (PubChem CID 107576187) has the molecular formula C17H16BrClN2 and a molecular weight of 363.69 g/mol. Its IUPAC name is 1-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-6-methylbenzimidazole.

Molecular Properties

Compound Name1-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-6-methylbenzimidazole
PubChem CID107576187
Molecular FormulaC17H16BrClN2
Molecular Weight363.69 g/mol
Exact Mass362.02
IUPAC Name1-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-6-methylbenzimidazole
SMILESCc1cc(Br)cc(-n2c(CCCl)nc3ccc(C)cc32)c1
InChIInChI=1S/C17H16BrClN2/c1-11-3-4-15-16(9-11)21(17(20-15)5-6-19)14-8-12(2)7-13(18)10-14/h3-4,7-10H,5-6H2,1-2H3
InChIKeyGESWNCGHPXGLAT-UHFFFAOYSA-N
XLogP5.19
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500363.69
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

Analyze 1-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-6-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

1-(4-bromo-3-chlorophenyl)-2-(2-chloroethyl)-6-methylbenzimidazole
CID 107614232
6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole
CID 65344743
1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43666700
5-bromo-2-(2-chloroethyl)-6-fluoro-1-(4-methylphenyl)benzimidazole
CID 66088874
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43806442
1-(4-bromo-3-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43667361
1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole
CID 82766388
3-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-7-methylimidazo[4,5-b]pyridine
CID 107576170
2-(2-chloroethyl)-5-fluoro-1-(3-fluoro-5-methylphenyl)benzimidazole
CID 79044549
2-(2-chloroethyl)-1-(2,4-dimethylphenyl)-6-fluorobenzimidazole
CID 63547408
1-(3-bromophenyl)-2-(2-chloroethyl)-6-fluorobenzimidazole
CID 63545191
6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylphenyl)benzimidazole
CID 65344841

Frequently Asked Questions

What is the IUPAC name of 1-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-6-methylbenzimidazole?
The IUPAC name of 1-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-6-methylbenzimidazole (CID 107576187) is 1-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-6-methylbenzimidazole.
What is the SMILES notation for 1-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-6-methylbenzimidazole?
The canonical SMILES for 1-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-6-methylbenzimidazole is Cc1cc(Br)cc(-n2c(CCCl)nc3ccc(C)cc32)c1.
What is the InChIKey of 1-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-6-methylbenzimidazole?
The InChIKey is GESWNCGHPXGLAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2/c1-11-3-4-15-16(9-11)21(17(20-15)5-6-19)14-8-12(2)7-13(18)10-14/h3-4,7-10H,5-6H2,1-2H3.
What are the key properties of 1-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-6-methylbenzimidazole?
1-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-6-methylbenzimidazole has a molecular weight of 363.69 g/mol, XLogP of 5.19, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-6-methylbenzimidazole is sourced from PubChem (CID 107576187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).