6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole

C15H17BrClFN2 — CID 116739074

IUPAC6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole
SMILESCC(Cl)c1nc2cc(F)c(Br)cc2n1C1CCCC1C
InChIInChI=1S/C15H17BrClFN2/c1-8-4-3-5-13(8)20-14-6-10(16)11(18)7-12(14)19-15(20)9(2)17/h6-9,13H,3-5H2,1-2H3
InChIKeyYBUXTKZSIRMZGM-UHFFFAOYSA-N
MW359.67 g/mol
LogP5.60
Rot. Bonds2

About 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole

6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole (PubChem CID 116739074) has the molecular formula C15H17BrClFN2 and a molecular weight of 359.67 g/mol. Its IUPAC name is 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole
PubChem CID116739074
Molecular FormulaC15H17BrClFN2
Molecular Weight359.67 g/mol
Exact Mass358.02
IUPAC Name6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole
SMILESCC(Cl)c1nc2cc(F)c(Br)cc2n1C1CCCC1C
InChIInChI=1S/C15H17BrClFN2/c1-8-4-3-5-13(8)20-14-6-10(16)11(18)7-12(14)19-15(20)9(2)17/h6-9,13H,3-5H2,1-2H3
InChIKeyYBUXTKZSIRMZGM-UHFFFAOYSA-N
XLogP5.60
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.67
LogP ≤ 55.60
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-(1-chloroethyl)-5-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole
CID 116738845
5-bromo-2-(1-chloroethyl)-6-fluoro-1-(4-methylcyclohexyl)benzimidazole
CID 66088073
2-(1-chloroethyl)-5-iodo-1-(2-methylcycloheptyl)benzimidazole
CID 66082667
5-bromo-2-(chloromethyl)-6-fluoro-1-(2-methylcyclopentyl)benzimidazole
CID 66087515
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methylcyclopropyl)benzimidazole
CID 66110630
6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole
CID 116738566
2-(1-chloroethyl)-6-fluoro-5-iodo-1-(2-methoxycyclopentyl)benzimidazole
CID 66094060
6-bromo-2-(1-chloroethyl)-5-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole
CID 107414410
5-bromo-2-(1-chloroethyl)-1-(1-cyclopentylethyl)-6-fluorobenzimidazole
CID 66087724
5-chloro-2-(1-chloroethyl)-6-fluoro-1-(2-methoxycyclopentyl)benzimidazole
CID 66112392
5-bromo-2-(1-chloroethyl)-1-(1-cyclopropylethyl)-6-fluorobenzimidazole
CID 66088892
6-bromo-2-(1-chloroethyl)-5-fluoro-1-propylbenzimidazole
CID 116738618

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole?
The IUPAC name of 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole (CID 116739074) is 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole.
What is the SMILES notation for 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole?
The canonical SMILES for 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole is CC(Cl)c1nc2cc(F)c(Br)cc2n1C1CCCC1C.
What is the InChIKey of 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole?
The InChIKey is YBUXTKZSIRMZGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClFN2/c1-8-4-3-5-13(8)20-14-6-10(16)11(18)7-12(14)19-15(20)9(2)17/h6-9,13H,3-5H2,1-2H3.
What are the key properties of 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole?
6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole has a molecular weight of 359.67 g/mol, XLogP of 5.60, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole is sourced from PubChem (CID 116739074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).