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

C16H14BrClN2 — CID 43666818

IUPAC1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole
SMILESCc1cc(Br)ccc1-n1c(CCCl)nc2ccccc21
InChIInChI=1S/C16H14BrClN2/c1-11-10-12(17)6-7-14(11)20-15-5-3-2-4-13(15)19-16(20)8-9-18/h2-7,10H,8-9H2,1H3
InChIKeyHORRDFNOYBFFPJ-UHFFFAOYSA-N
MW349.66 g/mol
LogP4.88
Rot. Bonds3

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

1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole (PubChem CID 43666818) has the molecular formula C16H14BrClN2 and a molecular weight of 349.66 g/mol. Its IUPAC name is 1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole.

Molecular Properties

Compound Name1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole
PubChem CID43666818
Molecular FormulaC16H14BrClN2
Molecular Weight349.66 g/mol
Exact Mass348.00
IUPAC Name1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole
SMILESCc1cc(Br)ccc1-n1c(CCCl)nc2ccccc21
InChIInChI=1S/C16H14BrClN2/c1-11-10-12(17)6-7-14(11)20-15-5-3-2-4-13(15)19-16(20)8-9-18/h2-7,10H,8-9H2,1H3
InChIKeyHORRDFNOYBFFPJ-UHFFFAOYSA-N
XLogP4.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.66
LogP ≤ 54.88
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

1-(4-bromo-2-methylphenyl)-5-chloro-2-(2-chloroethyl)benzimidazole
CID 43666812
6-bromo-2-(2-chloroethyl)-1-(2,4-dimethylphenyl)benzimidazole
CID 65344743
1-(2-bromo-5-methylphenyl)-2-(2-chloroethyl)benzimidazole
CID 82766388
6-bromo-2-(2-chloroethyl)-1-(2,3-dimethylphenyl)benzimidazole
CID 65344841
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-methylbenzimidazole
CID 43806442
3-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)-6-methylimidazo[4,5-b]pyridine
CID 79279453
5-bromo-2-(2-chloroethyl)-1-(2-iodophenyl)benzimidazole
CID 43666840
1-(4-bromo-2-methylphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 43660459
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)-5-iodobenzimidazole
CID 66081437
1-(5-bromo-2-methylphenyl)-2-(2-chloroethyl)imidazo[4,5-c]pyridine
CID 79292378
5-chloro-2-(2-chloroethyl)-1-(2-methylphenyl)benzimidazole
CID 43667207
2-(2-chloroethyl)-1-(2-fluorophenyl)benzimidazole
CID 43666914

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole?
The IUPAC name of 1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole (CID 43666818) is 1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole.
What is the SMILES notation for 1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole?
The canonical SMILES for 1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole is Cc1cc(Br)ccc1-n1c(CCCl)nc2ccccc21.
What is the InChIKey of 1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole?
The InChIKey is HORRDFNOYBFFPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14BrClN2/c1-11-10-12(17)6-7-14(11)20-15-5-3-2-4-13(15)19-16(20)8-9-18/h2-7,10H,8-9H2,1H3.
What are the key properties of 1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole?
1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole has a molecular weight of 349.66 g/mol, XLogP of 4.88, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-2-methylphenyl)-2-(2-chloroethyl)benzimidazole is sourced from PubChem (CID 43666818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).