5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole

C15H18BrClN2 — CID 113479132

IUPAC5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole
SMILESClCCc1nc2cc(Br)ccc2n1CCC1CCC1
InChIInChI=1S/C15H18BrClN2/c16-12-4-5-14-13(10-12)18-15(6-8-17)19(14)9-7-11-2-1-3-11/h4-5,10-11H,1-3,6-9H2
InChIKeyAWDCJCUXSZOGAK-UHFFFAOYSA-N
MW341.68 g/mol
LogP4.77
Rot. Bonds5

About 5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole

5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole (PubChem CID 113479132) has the molecular formula C15H18BrClN2 and a molecular weight of 341.68 g/mol. Its IUPAC name is 5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole
PubChem CID113479132
Molecular FormulaC15H18BrClN2
Molecular Weight341.68 g/mol
Exact Mass340.03
IUPAC Name5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole
SMILESClCCc1nc2cc(Br)ccc2n1CCC1CCC1
InChIInChI=1S/C15H18BrClN2/c16-12-4-5-14-13(10-12)18-15(6-8-17)19(14)9-7-11-2-1-3-11/h4-5,10-11H,1-3,6-9H2
InChIKeyAWDCJCUXSZOGAK-UHFFFAOYSA-N
XLogP4.77
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.68
LogP ≤ 54.77
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

6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
CID 65344662
2-(2-chloroethyl)-1-(2-cyclohexylethyl)-5-iodobenzimidazole
CID 66080253
6-bromo-2-(2-chloroethyl)-3-(2-cyclopentylethyl)imidazo[4,5-b]pyridine
CID 79302391
5-bromo-2-(2-chloroethyl)-1-[(1-methylpyrrolidin-3-yl)methyl]benzimidazole
CID 60855956
5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479127
2-(chloromethyl)-1-(2-cyclobutylethyl)-5-iodobenzimidazole
CID 113479138
5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole
CID 63545211
5-bromo-2-(2-chloroethyl)-1-(2-phenylethyl)benzimidazole
CID 43666409
5-bromo-2-(1-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
CID 63544857
5-bromo-1-[(4-bromophenyl)methyl]-2-(2-chloroethyl)benzimidazole
CID 60780183
2-(2-chloroethyl)-1-(2-cyclopropylethyl)-5-fluoro-6-methylbenzimidazole
CID 103593824
5-bromo-2-(2-chloroethyl)-1-(3-ethoxypropyl)benzimidazole
CID 43666524

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole?
The IUPAC name of 5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole (CID 113479132) is 5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole is ClCCc1nc2cc(Br)ccc2n1CCC1CCC1.
What is the InChIKey of 5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole?
The InChIKey is AWDCJCUXSZOGAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18BrClN2/c16-12-4-5-14-13(10-12)18-15(6-8-17)19(14)9-7-11-2-1-3-11/h4-5,10-11H,1-3,6-9H2.
What are the key properties of 5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole?
5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole has a molecular weight of 341.68 g/mol, XLogP of 4.77, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole is sourced from PubChem (CID 113479132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).