6-bromo-2-(chloromethyl)-1-(2-cyclopentylethyl)-5-fluorobenzimidazole

C15H17BrClFN2 — CID 116738831

IUPAC6-bromo-2-(chloromethyl)-1-(2-cyclopentylethyl)-5-fluorobenzimidazole
SMILESFc1cc2nc(CCl)n(CCC3CCCC3)c2cc1Br
InChIInChI=1S/C15H17BrClFN2/c16-11-7-14-13(8-12(11)18)19-15(9-17)20(14)6-5-10-3-1-2-4-10/h7-8,10H,1-6,9H2
InChIKeyZUUIZCGFDYAEDD-UHFFFAOYSA-N
MW359.67 g/mol
LogP5.26
Rot. Bonds4

About 6-bromo-2-(chloromethyl)-1-(2-cyclopentylethyl)-5-fluorobenzimidazole

6-bromo-2-(chloromethyl)-1-(2-cyclopentylethyl)-5-fluorobenzimidazole (PubChem CID 116738831) has the molecular formula C15H17BrClFN2 and a molecular weight of 359.67 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-1-(2-cyclopentylethyl)-5-fluorobenzimidazole.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-1-(2-cyclopentylethyl)-5-fluorobenzimidazole
PubChem CID116738831
Molecular FormulaC15H17BrClFN2
Molecular Weight359.67 g/mol
Exact Mass358.02
IUPAC Name6-bromo-2-(chloromethyl)-1-(2-cyclopentylethyl)-5-fluorobenzimidazole
SMILESFc1cc2nc(CCl)n(CCC3CCCC3)c2cc1Br
InChIInChI=1S/C15H17BrClFN2/c16-11-7-14-13(8-12(11)18)19-15(9-17)20(14)6-5-10-3-1-2-4-10/h7-8,10H,1-6,9H2
InChIKeyZUUIZCGFDYAEDD-UHFFFAOYSA-N
XLogP5.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500359.67
LogP ≤ 55.26
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

5,6-dichloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479149
5-bromo-2-(chloromethyl)-1-(cyclobutylmethyl)-6-fluorobenzimidazole
CID 66088881
5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylpiperidin-3-yl)methyl]benzimidazole
CID 66086549
5-chloro-2-(chloromethyl)-1-(2-cyclobutylethyl)benzimidazole
CID 113479127
2-(chloromethyl)-1-(2-cyclobutylethyl)-5-iodobenzimidazole
CID 113479138
6-bromo-2-(chloromethyl)-5-fluoro-1-(3-methylsulfanylpropyl)benzimidazole
CID 116739118
5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole
CID 66086361
2-(chloromethyl)-1-(2-cyclohexylethyl)-6,7-difluorobenzimidazole
CID 63545394
5-bromo-2-(2-chloroethyl)-1-(cyclopentylmethyl)-6-fluorobenzimidazole
CID 66088505
6-bromo-2-(2-chloroethyl)-1-(2-cyclohexylethyl)benzimidazole
CID 65344662
2-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]-N-cyclopropylacetamide
CID 116738808
1-[[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]methyl]-N,N-dimethylcyclobutan-1-amine
CID 105419419

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-1-(2-cyclopentylethyl)-5-fluorobenzimidazole?
The IUPAC name of 6-bromo-2-(chloromethyl)-1-(2-cyclopentylethyl)-5-fluorobenzimidazole (CID 116738831) is 6-bromo-2-(chloromethyl)-1-(2-cyclopentylethyl)-5-fluorobenzimidazole.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-1-(2-cyclopentylethyl)-5-fluorobenzimidazole?
The canonical SMILES for 6-bromo-2-(chloromethyl)-1-(2-cyclopentylethyl)-5-fluorobenzimidazole is Fc1cc2nc(CCl)n(CCC3CCCC3)c2cc1Br.
What is the InChIKey of 6-bromo-2-(chloromethyl)-1-(2-cyclopentylethyl)-5-fluorobenzimidazole?
The InChIKey is ZUUIZCGFDYAEDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17BrClFN2/c16-11-7-14-13(8-12(11)18)19-15(9-17)20(14)6-5-10-3-1-2-4-10/h7-8,10H,1-6,9H2.
What are the key properties of 6-bromo-2-(chloromethyl)-1-(2-cyclopentylethyl)-5-fluorobenzimidazole?
6-bromo-2-(chloromethyl)-1-(2-cyclopentylethyl)-5-fluorobenzimidazole has a molecular weight of 359.67 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-(chloromethyl)-1-(2-cyclopentylethyl)-5-fluorobenzimidazole is sourced from PubChem (CID 116738831), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).