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

C14H15BrClFN2 — CID 66087515

IUPAC5-bromo-2-(chloromethyl)-6-fluoro-1-(2-methylcyclopentyl)benzimidazole
SMILESCC1CCCC1n1c(CCl)nc2cc(Br)c(F)cc21
InChIInChI=1S/C14H15BrClFN2/c1-8-3-2-4-12(8)19-13-6-10(17)9(15)5-11(13)18-14(19)7-16/h5-6,8,12H,2-4,7H2,1H3
InChIKeyHRQKFDBGXWMBSD-UHFFFAOYSA-N
MW345.64 g/mol
LogP5.04
Rot. Bonds2

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

5-bromo-2-(chloromethyl)-6-fluoro-1-(2-methylcyclopentyl)benzimidazole (PubChem CID 66087515) has the molecular formula C14H15BrClFN2 and a molecular weight of 345.64 g/mol. Its IUPAC name is 5-bromo-2-(chloromethyl)-6-fluoro-1-(2-methylcyclopentyl)benzimidazole.

Molecular Properties

Compound Name5-bromo-2-(chloromethyl)-6-fluoro-1-(2-methylcyclopentyl)benzimidazole
PubChem CID66087515
Molecular FormulaC14H15BrClFN2
Molecular Weight345.64 g/mol
Exact Mass344.01
IUPAC Name5-bromo-2-(chloromethyl)-6-fluoro-1-(2-methylcyclopentyl)benzimidazole
SMILESCC1CCCC1n1c(CCl)nc2cc(Br)c(F)cc21
InChIInChI=1S/C14H15BrClFN2/c1-8-3-2-4-12(8)19-13-6-10(17)9(15)5-11(13)18-14(19)7-16/h5-6,8,12H,2-4,7H2,1H3
InChIKeyHRQKFDBGXWMBSD-UHFFFAOYSA-N
XLogP5.04
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500345.64
LogP ≤ 55.04
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-chloro-2-(chloromethyl)-1-(2-methylcyclopentyl)benzimidazole
CID 55172239
5-bromo-2-(chloromethyl)-6-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole
CID 66086538
6-bromo-2-(chloromethyl)-5-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazole
CID 116738926
5-bromo-2-(chloromethyl)-1-(cyclobutylmethyl)-6-fluorobenzimidazole
CID 66088881
6-bromo-2-(1-chloroethyl)-5-fluoro-1-(2-methylcyclopentyl)benzimidazole
CID 116739074
5-bromo-1-(2,3-dimethylcyclohexyl)-6-fluorobenzimidazol-2-amine
CID 66088621
2-(chloromethyl)-6,7-difluoro-1-(2-methylcyclopentyl)benzimidazole
CID 63281505
6-bromo-2-(chloromethyl)-5-fluoro-1-(7-oxabicyclo[2.2.1]heptan-2-yl)benzimidazole
CID 116739246
2-(chloromethyl)-1-cyclobutyl-6-fluoro-5-iodobenzimidazole
CID 66095293
2-(chloromethyl)-1-cyclobutyl-5-fluoro-6-methylbenzimidazole
CID 103593655
6-bromo-2-(chloromethyl)-1-(1-cyclopropylpyrrolidin-3-yl)-5-fluorobenzimidazole
CID 116738949
6-bromo-2-(chloromethyl)-1-(1-cyclobutylethyl)-5-fluorobenzimidazole
CID 116739419

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(chloromethyl)-6-fluoro-1-(2-methylcyclopentyl)benzimidazole?
The IUPAC name of 5-bromo-2-(chloromethyl)-6-fluoro-1-(2-methylcyclopentyl)benzimidazole (CID 66087515) is 5-bromo-2-(chloromethyl)-6-fluoro-1-(2-methylcyclopentyl)benzimidazole.
What is the SMILES notation for 5-bromo-2-(chloromethyl)-6-fluoro-1-(2-methylcyclopentyl)benzimidazole?
The canonical SMILES for 5-bromo-2-(chloromethyl)-6-fluoro-1-(2-methylcyclopentyl)benzimidazole is CC1CCCC1n1c(CCl)nc2cc(Br)c(F)cc21.
What is the InChIKey of 5-bromo-2-(chloromethyl)-6-fluoro-1-(2-methylcyclopentyl)benzimidazole?
The InChIKey is HRQKFDBGXWMBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15BrClFN2/c1-8-3-2-4-12(8)19-13-6-10(17)9(15)5-11(13)18-14(19)7-16/h5-6,8,12H,2-4,7H2,1H3.
What are the key properties of 5-bromo-2-(chloromethyl)-6-fluoro-1-(2-methylcyclopentyl)benzimidazole?
5-bromo-2-(chloromethyl)-6-fluoro-1-(2-methylcyclopentyl)benzimidazole has a molecular weight of 345.64 g/mol, XLogP of 5.04, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-2-(chloromethyl)-6-fluoro-1-(2-methylcyclopentyl)benzimidazole is sourced from PubChem (CID 66087515), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).