2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole

C15H17ClF2N2 — CID 115509193

IUPAC2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole
SMILESFc1cc(F)c2nc(CCl)n(CC3CCCCC3)c2c1
InChIInChI=1S/C15H17ClF2N2/c16-8-14-19-15-12(18)6-11(17)7-13(15)20(14)9-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2
InChIKeyGKFYYUBAVZZYPP-UHFFFAOYSA-N
MW298.76 g/mol
LogP4.63
Rot. Bonds3

About 2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole

2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole (PubChem CID 115509193) has the molecular formula C15H17ClF2N2 and a molecular weight of 298.76 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole
PubChem CID115509193
Molecular FormulaC15H17ClF2N2
Molecular Weight298.76 g/mol
Exact Mass298.10
IUPAC Name2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole
SMILESFc1cc(F)c2nc(CCl)n(CC3CCCCC3)c2c1
InChIInChI=1S/C15H17ClF2N2/c16-8-14-19-15-12(18)6-11(17)7-13(15)20(14)9-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2
InChIKeyGKFYYUBAVZZYPP-UHFFFAOYSA-N
XLogP4.63
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.76
LogP ≤ 54.63
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)-4,6-difluoro-1-(oxan-4-ylmethyl)benzimidazole
CID 115509514
2-(2-chloroethyl)-1-(cyclobutylmethyl)-4,6-difluorobenzimidazole
CID 113325667
2-(2-chloroethyl)-1-(cyclopropylmethyl)-4,6-difluorobenzimidazole
CID 115508994
2-(chloromethyl)-4,6-difluoro-1-[(1-methylpiperidin-2-yl)methyl]benzimidazole
CID 115509365
1-(cyclopentylmethyl)-4,6-difluorobenzimidazol-2-amine
CID 113325607
5-bromo-2-(chloromethyl)-1-(cyclobutylmethyl)-6-fluorobenzimidazole
CID 66088881
2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole
CID 115509040
2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole
CID 115509041
2-(2-chloroethyl)-4,6-difluoro-1-(oxolan-2-ylmethyl)benzimidazole
CID 115508990
2-(chloromethyl)-1-(4-ethylcyclohexyl)-4,6-difluorobenzimidazole
CID 115509297
5-bromo-2-(chloromethyl)-6-fluoro-1-[(1-methylpiperidin-4-yl)methyl]benzimidazole
CID 66086361
2-(chloromethyl)-4,6-difluoro-1-[(3-fluorophenyl)methyl]benzimidazole
CID 115509080

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole (CID 115509193) is 2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole is Fc1cc(F)c2nc(CCl)n(CC3CCCCC3)c2c1.
What is the InChIKey of 2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole?
The InChIKey is GKFYYUBAVZZYPP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2N2/c16-8-14-19-15-12(18)6-11(17)7-13(15)20(14)9-10-4-2-1-3-5-10/h6-7,10H,1-5,8-9H2.
What are the key properties of 2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole?
2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole has a molecular weight of 298.76 g/mol, XLogP of 4.63, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole is sourced from PubChem (CID 115509193), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).