6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole

C17H16BrClN2 — CID 65344743

IUPAC6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole
SMILESCc1ccc(-n2c(CCCl)nc3ccc(Br)cc32)c(C)c1
InChIInChI=1S/C17H16BrClN2/c1-11-3-6-15(12(2)9-11)21-16-10-13(18)4-5-14(16)20-17(21)7-8-19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyKTIGJRQVGYDUIL-UHFFFAOYSA-N
MW363.69 g/mol
LogP5.19
Rot. Bonds3

About 6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole

6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole (PubChem CID 65344743) has the molecular formula C17H16BrClN2 and a molecular weight of 363.69 g/mol. Its IUPAC name is 6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole
PubChem CID65344743
Molecular FormulaC17H16BrClN2
Molecular Weight363.69 g/mol
Exact Mass362.02
IUPAC Name6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole
SMILESCc1ccc(-n2c(CCCl)nc3ccc(Br)cc32)c(C)c1
InChIInChI=1S/C17H16BrClN2/c1-11-3-6-15(12(2)9-11)21-16-10-13(18)4-5-14(16)20-17(21)7-8-19/h3-6,9-10H,7-8H2,1-2H3
InChIKeyKTIGJRQVGYDUIL-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'}

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Related Compounds

2-(2-chloroethyl)-1-(2,4-dimethylphenyl)-6-fluorobenzimidazole
CID 63547408
1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole
CID 43666818
6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylphenyl)benzimidazole
CID 65344841
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43806442
1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43666812
1-(3-bromo-5-methylphenyl)-2-(2-chloroethyl)-6-methylbenzimidazole
CID 107576187
6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole
CID 65344902
6-bromo-2-(chloromethyl)-1-(2-fluoro-5-methylphenyl)benzimidazole
CID 65344941
3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279453
1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole
CID 82766388
1-(3-bromophenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43666700
5-bromo-2-(chloromethyl)-1-(4-fluoro-2-methylphenyl)benzimidazole
CID 43660511

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole?
The IUPAC name of 6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole (CID 65344743) is 6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole.
What is the SMILES notation for 6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole?
The canonical SMILES for 6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole is Cc1ccc(-n2c(CCCl)nc3ccc(Br)cc32)c(C)c1.
What is the InChIKey of 6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole?
The InChIKey is KTIGJRQVGYDUIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16BrClN2/c1-11-3-6-15(12(2)9-11)21-16-10-13(18)4-5-14(16)20-17(21)7-8-19/h3-6,9-10H,7-8H2,1-2H3.
What are the key properties of 6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole?
6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole 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 6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole is sourced from PubChem (CID 65344743), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).