5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole

C11H11BrClFN2 — CID 66088261

IUPAC5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(CCl)nc2cc(Br)c(F)cc21
InChIInChI=1S/C11H11BrClFN2/c1-6(2)16-10-4-8(14)7(12)3-9(10)15-11(16)5-13/h3-4,6H,5H2,1-2H3
InChIKeyDPMZVCCYFPJJBT-UHFFFAOYSA-N
MW305.58 g/mol
LogP4.26
Rot. Bonds2

About 5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole

5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole (PubChem CID 66088261) has the molecular formula C11H11BrClFN2 and a molecular weight of 305.58 g/mol. Its IUPAC name is 5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole.

Molecular Properties

Compound Name5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole
PubChem CID66088261
Molecular FormulaC11H11BrClFN2
Molecular Weight305.58 g/mol
Exact Mass303.98
IUPAC Name5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole
SMILESCC(C)n1c(CCl)nc2cc(Br)c(F)cc21
InChIInChI=1S/C11H11BrClFN2/c1-6(2)16-10-4-8(14)7(12)3-9(10)15-11(16)5-13/h3-4,6H,5H2,1-2H3
InChIKeyDPMZVCCYFPJJBT-UHFFFAOYSA-N
XLogP4.26
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.58
LogP ≤ 54.26
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

6-bromo-2-(chloromethyl)-5-fluoro-1-(4-methylpentan-2-yl)benzimidazole
CID 116738768
5-bromo-2-(chloromethyl)-6-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole
CID 66087109
6-bromo-2-(chloromethyl)-1-(1-cyclobutylethyl)-5-fluorobenzimidazole
CID 116739419
6-bromo-2-(chloromethyl)-1-(1-cyclohexylethyl)-5-fluorobenzimidazole
CID 116739029
5-bromo-2-(chloromethyl)-1-(3-ethylpentan-3-yl)-6-fluorobenzimidazole
CID 66088103
5-bromo-2-(chloromethyl)-6-fluoro-1-(3-methylpentan-3-yl)benzimidazole
CID 106330234
6-bromo-2-(chloromethyl)-5-fluoro-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole
CID 116738903
2-[1-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]ethyl]-5-methyl-1,3-thiazole
CID 116739306
5-bromo-2-(chloromethyl)-6-fluoro-1-phenylbenzimidazole
CID 66085949
6-bromo-2-(1-chloroethyl)-5-fluoro-1-propan-2-ylbenzimidazole
CID 116738566
5-bromo-2-(chloromethyl)-6-fluoro-1-[1-(trifluoromethyl)cyclopropyl]benzimidazole
CID 106216982
5-bromo-2-(chloromethyl)-6-fluoro-1-(4-methoxyphenyl)benzimidazole
CID 66085948

Frequently Asked Questions

What is the IUPAC name of 5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole?
The IUPAC name of 5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole (CID 66088261) is 5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole.
What is the SMILES notation for 5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole?
The canonical SMILES for 5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole is CC(C)n1c(CCl)nc2cc(Br)c(F)cc21.
What is the InChIKey of 5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole?
The InChIKey is DPMZVCCYFPJJBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11BrClFN2/c1-6(2)16-10-4-8(14)7(12)3-9(10)15-11(16)5-13/h3-4,6H,5H2,1-2H3.
What are the key properties of 5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole?
5-bromo-2-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole has a molecular weight of 305.58 g/mol, XLogP of 4.26, 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-propan-2-ylbenzimidazole is sourced from PubChem (CID 66088261), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).