1-(5-bromo-2-methylphenyl)-4-chloro-2-(2-chloroethyl)benzimidazole

C16H13BrCl2N2 — CID 104837709

IUPAC1-(5-bromo-2-methylphenyl)-4-chloro-2-(2-chloroethyl)benzimidazole
SMILESCc1ccc(Br)cc1-n1c(CCCl)nc2c(Cl)cccc21
InChIInChI=1S/C16H13BrCl2N2/c1-10-5-6-11(17)9-14(10)21-13-4-2-3-12(19)16(13)20-15(21)7-8-18/h2-6,9H,7-8H2,1H3
InChIKeyKGCAYJILLYGQDP-UHFFFAOYSA-N
MW384.10 g/mol
LogP5.53
Rot. Bonds3

About 1-(5-bromo-2-methylphenyl)-4-chloro-2-(2-chloroethyl)benzimidazole

1-(5-bromo-2-methylphenyl)-4-chloro-2-(2-chloroethyl)benzimidazole (PubChem CID 104837709) has the molecular formula C16H13BrCl2N2 and a molecular weight of 384.10 g/mol. Its IUPAC name is 1-(5-bromo-2-methylphenyl)-4-chloro-2-(2-chloroethyl)benzimidazole.

Molecular Properties

Compound Name1-(5-bromo-2-methylphenyl)-4-chloro-2-(2-chloroethyl)benzimidazole
PubChem CID104837709
Molecular FormulaC16H13BrCl2N2
Molecular Weight384.10 g/mol
Exact Mass381.96
IUPAC Name1-(5-bromo-2-methylphenyl)-4-chloro-2-(2-chloroethyl)benzimidazole
SMILESCc1ccc(Br)cc1-n1c(CCCl)nc2c(Cl)cccc21
InChIInChI=1S/C16H13BrCl2N2/c1-10-5-6-11(17)9-14(10)21-13-4-2-3-12(19)16(13)20-15(21)7-8-18/h2-6,9H,7-8H2,1H3
InChIKeyKGCAYJILLYGQDP-UHFFFAOYSA-N
XLogP5.53
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.10
LogP ≤ 55.53
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

4-chloro-2-(2-chloroethyl)-1-(5-chloro-2-methylphenyl)benzimidazole
CID 104837444
4-chloro-2-(chloromethyl)-1-(2,5-dibromophenyl)benzimidazole
CID 104837784
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43806442
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 66081437
4-chloro-2-(2-chloroethyl)-1-(4-chloro-2-fluorophenyl)benzimidazole
CID 104837807
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292378
4-chloro-2-(2-chloroethyl)-1-(2,4-difluorophenyl)benzimidazole
CID 104837501
4-chloro-2-(2-chloroethyl)-1-(2,3-difluorophenyl)benzimidazole
CID 104837746
1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole
CID 43666818
6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylphenyl)benzimidazole
CID 65344841
6-bromo-1-(5-bromo-2-methylphenyl)-2-(chloromethyl)benzimidazole
CID 65344902
1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43666812

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromo-2-methylphenyl)-4-chloro-2-(2-chloroethyl)benzimidazole?
The IUPAC name of 1-(5-bromo-2-methylphenyl)-4-chloro-2-(2-chloroethyl)benzimidazole (CID 104837709) is 1-(5-bromo-2-methylphenyl)-4-chloro-2-(2-chloroethyl)benzimidazole.
What is the SMILES notation for 1-(5-bromo-2-methylphenyl)-4-chloro-2-(2-chloroethyl)benzimidazole?
The canonical SMILES for 1-(5-bromo-2-methylphenyl)-4-chloro-2-(2-chloroethyl)benzimidazole is Cc1ccc(Br)cc1-n1c(CCCl)nc2c(Cl)cccc21.
What is the InChIKey of 1-(5-bromo-2-methylphenyl)-4-chloro-2-(2-chloroethyl)benzimidazole?
The InChIKey is KGCAYJILLYGQDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13BrCl2N2/c1-10-5-6-11(17)9-14(10)21-13-4-2-3-12(19)16(13)20-15(21)7-8-18/h2-6,9H,7-8H2,1H3.
What are the key properties of 1-(5-bromo-2-methylphenyl)-4-chloro-2-(2-chloroethyl)benzimidazole?
1-(5-bromo-2-methylphenyl)-4-chloro-2-(2-chloroethyl)benzimidazole has a molecular weight of 384.10 g/mol, XLogP of 5.53, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromo-2-methylphenyl)-4-chloro-2-(2-chloroethyl)benzimidazole is sourced from PubChem (CID 104837709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).