6-bromo-2-(chloromethyl)-5-fluoro-1-(4-methylpentan-2-yl)benzimidazole

C14H17BrClFN2 — CID 116738768

IUPAC6-bromo-2-(chloromethyl)-5-fluoro-1-(4-methylpentan-2-yl)benzimidazole
SMILESCC(C)CC(C)n1c(CCl)nc2cc(F)c(Br)cc21
InChIInChI=1S/C14H17BrClFN2/c1-8(2)4-9(3)19-13-5-10(15)11(17)6-12(13)18-14(19)7-16/h5-6,8-9H,4,7H2,1-3H3
InChIKeyCYZHNPCMYNXLTH-UHFFFAOYSA-N
MW347.66 g/mol
LogP5.28
Rot. Bonds4

About 6-bromo-2-(chloromethyl)-5-fluoro-1-(4-methylpentan-2-yl)benzimidazole

6-bromo-2-(chloromethyl)-5-fluoro-1-(4-methylpentan-2-yl)benzimidazole (PubChem CID 116738768) has the molecular formula C14H17BrClFN2 and a molecular weight of 347.66 g/mol. Its IUPAC name is 6-bromo-2-(chloromethyl)-5-fluoro-1-(4-methylpentan-2-yl)benzimidazole.

Molecular Properties

Compound Name6-bromo-2-(chloromethyl)-5-fluoro-1-(4-methylpentan-2-yl)benzimidazole
PubChem CID116738768
Molecular FormulaC14H17BrClFN2
Molecular Weight347.66 g/mol
Exact Mass346.02
IUPAC Name6-bromo-2-(chloromethyl)-5-fluoro-1-(4-methylpentan-2-yl)benzimidazole
SMILESCC(C)CC(C)n1c(CCl)nc2cc(F)c(Br)cc21
InChIInChI=1S/C14H17BrClFN2/c1-8(2)4-9(3)19-13-5-10(15)11(17)6-12(13)18-14(19)7-16/h5-6,8-9H,4,7H2,1-3H3
InChIKeyCYZHNPCMYNXLTH-UHFFFAOYSA-N
XLogP5.28
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.66
LogP ≤ 55.28
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-(chloromethyl)-6-fluoro-1-propan-2-ylbenzimidazole
CID 66088261
6-bromo-2-(chloromethyl)-5-fluoro-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole
CID 116738903
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)-6-fluoro-1-(1-pyrazol-1-ylpropan-2-yl)benzimidazole
CID 66087109
2-[1-[6-bromo-2-(chloromethyl)-5-fluorobenzimidazol-1-yl]ethyl]-5-methyl-1,3-thiazole
CID 116739306
6-bromo-1-tert-butyl-2-(chloromethyl)-5-fluorobenzimidazole
CID 116738667
1-butan-2-yl-2-(chloromethyl)-5-fluoro-6-methoxybenzimidazole
CID 63598249
6-bromo-2-(2-chloroethyl)-5-fluoro-1-pentan-3-ylbenzimidazole
CID 116738614
2-(chloromethyl)-5-fluoro-1-(1-methoxypropan-2-yl)-6-methylbenzimidazole
CID 103593202
6-chloro-2-(2-chloroethyl)-1-(4-methylpentan-2-yl)benzimidazole
CID 113316284
6-bromo-1-(2-bromo-4-methylphenyl)-2-(chloromethyl)-5-fluorobenzimidazole
CID 116738743

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-(chloromethyl)-5-fluoro-1-(4-methylpentan-2-yl)benzimidazole?
The IUPAC name of 6-bromo-2-(chloromethyl)-5-fluoro-1-(4-methylpentan-2-yl)benzimidazole (CID 116738768) is 6-bromo-2-(chloromethyl)-5-fluoro-1-(4-methylpentan-2-yl)benzimidazole.
What is the SMILES notation for 6-bromo-2-(chloromethyl)-5-fluoro-1-(4-methylpentan-2-yl)benzimidazole?
The canonical SMILES for 6-bromo-2-(chloromethyl)-5-fluoro-1-(4-methylpentan-2-yl)benzimidazole is CC(C)CC(C)n1c(CCl)nc2cc(F)c(Br)cc21.
What is the InChIKey of 6-bromo-2-(chloromethyl)-5-fluoro-1-(4-methylpentan-2-yl)benzimidazole?
The InChIKey is CYZHNPCMYNXLTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17BrClFN2/c1-8(2)4-9(3)19-13-5-10(15)11(17)6-12(13)18-14(19)7-16/h5-6,8-9H,4,7H2,1-3H3.
What are the key properties of 6-bromo-2-(chloromethyl)-5-fluoro-1-(4-methylpentan-2-yl)benzimidazole?
6-bromo-2-(chloromethyl)-5-fluoro-1-(4-methylpentan-2-yl)benzimidazole has a molecular weight of 347.66 g/mol, XLogP of 5.28, 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)-5-fluoro-1-(4-methylpentan-2-yl)benzimidazole is sourced from PubChem (CID 116738768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).