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

C17H22BrClN2 — CID 63544857

IUPAC5-bromo-2-(1-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Br)ccc2n1CCC1CCCCC1
InChIInChI=1S/C17H22BrClN2/c1-12(19)17-20-15-11-14(18)7-8-16(15)21(17)10-9-13-5-3-2-4-6-13/h7-8,11-13H,2-6,9-10H2,1H3
InChIKeyFHNVPOJSSSQZFA-UHFFFAOYSA-N
MW369.73 g/mol
LogP6.07
Rot. Bonds4

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

5-bromo-2-(1-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole (PubChem CID 63544857) has the molecular formula C17H22BrClN2 and a molecular weight of 369.73 g/mol. Its IUPAC name is 5-bromo-2-(1-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(1-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
PubChem CID63544857
Molecular FormulaC17H22BrClN2
Molecular Weight369.73 g/mol
Exact Mass368.07
IUPAC Name5-bromo-2-(1-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
SMILESCC(Cl)c1nc2cc(Br)ccc2n1CCC1CCCCC1
InChIInChI=1S/C17H22BrClN2/c1-12(19)17-20-15-11-14(18)7-8-16(15)21(17)10-9-13-5-3-2-4-6-13/h7-8,11-13H,2-6,9-10H2,1H3
InChIKeyFHNVPOJSSSQZFA-UHFFFAOYSA-N
XLogP6.07
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500369.73
LogP ≤ 56.07
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

5-bromo-2-(1-chloroethyl)-1-(2-cyclopentylethyl)benzimidazole
CID 63545211
6-bromo-2-(1-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479145
2-(1-chloroethyl)-1-(2-cyclohexylethyl)-5-methylbenzimidazole
CID 63545213
2-(1-chloroethyl)-1-(2-cyclobutylethyl)-5-methylbenzimidazole
CID 113479126
5-bromo-2-(2-chloroethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479132
2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]-N-ethyl-N-methylethanamine
CID 62640923
2-(1-chloroethyl)-1-(2-cyclopropylethyl)-5-fluoro-6-methylbenzimidazole
CID 103593825
5-bromo-2-(1-chloroethyl)-1-[(1-ethylpyrrolidin-3-yl)methyl]benzimidazole
CID 60856894
5-bromo-2-(1-chloroethyl)-1-(2-ethylcyclohexyl)benzimidazole
CID 63545226
4-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]butanamide
CID 60863620
5-bromo-2-(1-chloroethyl)-1-(2,2,3,3-tetrafluoropropyl)benzimidazole
CID 106294994
2-[2-[5-bromo-2-(1-chloroethyl)benzimidazol-1-yl]ethyl]-1,3-thiazole
CID 63240277

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(1-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole?
The IUPAC name of 5-bromo-2-(1-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole (CID 63544857) is 5-bromo-2-(1-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(1-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(1-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole is CC(Cl)c1nc2cc(Br)ccc2n1CCC1CCCCC1.
What is the InChIKey of 5-bromo-2-(1-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole?
The InChIKey is FHNVPOJSSSQZFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22BrClN2/c1-12(19)17-20-15-11-14(18)7-8-16(15)21(17)10-9-13-5-3-2-4-6-13/h7-8,11-13H,2-6,9-10H2,1H3.
What are the key properties of 5-bromo-2-(1-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole?
5-bromo-2-(1-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole has a molecular weight of 369.73 g/mol, XLogP of 6.07, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(1-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole is sourced from PubChem (CID 63544857), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).