2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)-6-fluorobenzimidazole

C16H20ClFN2 — CID 64732903

IUPAC2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)-6-fluorobenzimidazole
SMILESCC1CC(C)CC(n2c(CCl)nc3ccc(F)cc32)C1
InChIInChI=1S/C16H20ClFN2/c1-10-5-11(2)7-13(6-10)20-15-8-12(18)3-4-14(15)19-16(20)9-17/h3-4,8,10-11,13H,5-7,9H2,1-2H3
InChIKeyGLNMMKKJMLXAPE-UHFFFAOYSA-N
MW294.80 g/mol
LogP4.91
Rot. Bonds2

About 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)-6-fluorobenzimidazole

2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)-6-fluorobenzimidazole (PubChem CID 64732903) has the molecular formula C16H20ClFN2 and a molecular weight of 294.80 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)-6-fluorobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)-6-fluorobenzimidazole
PubChem CID64732903
Molecular FormulaC16H20ClFN2
Molecular Weight294.80 g/mol
Exact Mass294.13
IUPAC Name2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)-6-fluorobenzimidazole
SMILESCC1CC(C)CC(n2c(CCl)nc3ccc(F)cc32)C1
InChIInChI=1S/C16H20ClFN2/c1-10-5-11(2)7-13(6-10)20-15-8-12(18)3-4-14(15)19-16(20)9-17/h3-4,8,10-11,13H,5-7,9H2,1-2H3
InChIKeyGLNMMKKJMLXAPE-UHFFFAOYSA-N
XLogP4.91
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.80
LogP ≤ 54.91
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

2-(chloromethyl)-1-(3,4-dimethylcyclohexyl)-6-fluorobenzimidazole
CID 64743874
2-(chloromethyl)-1-cyclobutyl-6-fluorobenzimidazole
CID 62414806
2-(chloromethyl)-1-cyclopentyl-6-fluorobenzimidazole
CID 62377893
2-(chloromethyl)-3-(3,5-dimethylcyclohexyl)benzimidazole-5-carbonitrile
CID 104715836
2-(chloromethyl)-6-fluoro-1-(oxan-4-yl)benzimidazole
CID 62377904
2-(chloromethyl)-6-fluoro-1-(oxolan-3-yl)benzimidazole
CID 80712629
6-chloro-2-(chloromethyl)-1-(3-methylcyclopentyl)benzimidazole
CID 114548595
2-(chloromethyl)-1-(2,4-dimethylcyclohexyl)-5-fluorobenzimidazole
CID 63997551
2-(chloromethyl)-1-cyclopentyl-5-fluorobenzimidazole
CID 43660216
2-(chloromethyl)-6-fluoro-1-(2,3,5,6,7,8-hexahydro-1H-pyrrolizin-1-yl)benzimidazole
CID 62376357
2-(chloromethyl)-1-cyclohexyl-5-fluorobenzimidazole
CID 43660251
2-(1-cyclopropyl-6-fluorobenzimidazol-2-yl)acetic acid
CID 55067796

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)-6-fluorobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)-6-fluorobenzimidazole (CID 64732903) is 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)-6-fluorobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)-6-fluorobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)-6-fluorobenzimidazole is CC1CC(C)CC(n2c(CCl)nc3ccc(F)cc32)C1.
What is the InChIKey of 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)-6-fluorobenzimidazole?
The InChIKey is GLNMMKKJMLXAPE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20ClFN2/c1-10-5-11(2)7-13(6-10)20-15-8-12(18)3-4-14(15)19-16(20)9-17/h3-4,8,10-11,13H,5-7,9H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)-6-fluorobenzimidazole?
2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)-6-fluorobenzimidazole has a molecular weight of 294.80 g/mol, XLogP of 4.91, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(3,5-dimethylcyclohexyl)-6-fluorobenzimidazole is sourced from PubChem (CID 64732903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).