2-(chloromethyl)-4,6-difluoro-1-(2-methoxycyclopentyl)benzimidazole

C14H15ClF2N2O — CID 115509428

IUPAC2-(chloromethyl)-4,6-difluoro-1-(2-methoxycyclopentyl)benzimidazole
SMILESCOC1CCCC1n1c(CCl)nc2c(F)cc(F)cc21
InChIInChI=1S/C14H15ClF2N2O/c1-20-12-4-2-3-10(12)19-11-6-8(16)5-9(17)14(11)18-13(19)7-15/h5-6,10,12H,2-4,7H2,1H3
InChIKeySBKRIOZBKYGOOM-UHFFFAOYSA-N
MW300.74 g/mol
LogP3.79
Rot. Bonds3

About 2-(chloromethyl)-4,6-difluoro-1-(2-methoxycyclopentyl)benzimidazole

2-(chloromethyl)-4,6-difluoro-1-(2-methoxycyclopentyl)benzimidazole (PubChem CID 115509428) has the molecular formula C14H15ClF2N2O and a molecular weight of 300.74 g/mol. Its IUPAC name is 2-(chloromethyl)-4,6-difluoro-1-(2-methoxycyclopentyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-4,6-difluoro-1-(2-methoxycyclopentyl)benzimidazole
PubChem CID115509428
Molecular FormulaC14H15ClF2N2O
Molecular Weight300.74 g/mol
Exact Mass300.08
IUPAC Name2-(chloromethyl)-4,6-difluoro-1-(2-methoxycyclopentyl)benzimidazole
SMILESCOC1CCCC1n1c(CCl)nc2c(F)cc(F)cc21
InChIInChI=1S/C14H15ClF2N2O/c1-20-12-4-2-3-10(12)19-11-6-8(16)5-9(17)14(11)18-13(19)7-15/h5-6,10,12H,2-4,7H2,1H3
InChIKeySBKRIOZBKYGOOM-UHFFFAOYSA-N
XLogP3.79
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.74
LogP ≤ 53.79
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'alkyl_halide', 'substructure': 'N/A'}

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Related Compounds

2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole
CID 115509040
2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4,6-difluorobenzimidazole
CID 115509592
2-(chloromethyl)-1-(4-ethylcyclohexyl)-4,6-difluorobenzimidazole
CID 115509297
2-(2-chloroethyl)-4,6-difluoro-1-(4-methylcyclohexyl)benzimidazole
CID 104963478
2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole
CID 115509193
5-bromo-2-(chloromethyl)-6-fluoro-1-(2-methylcyclopentyl)benzimidazole
CID 66087515
5-(chloromethyl)-3-ethyl-6-(2-methoxycyclopentyl)-1-methylimidazo[4,5-d]pyrazole
CID 79300567
2-(2-chloroethyl)-4,6-difluoro-1-(oxan-4-yl)benzimidazole
CID 115509237
6-bromo-2-(chloromethyl)-3-(2-methoxycyclopentyl)imidazo[4,5-b]pyridine
CID 79302547
2-(chloromethyl)-4,6-difluoro-1-[(1-methylpiperidin-2-yl)methyl]benzimidazole
CID 115509365
2-(2-chloroethyl)-1-(2,2-dimethylcyclopentyl)-4,6-difluorobenzimidazole
CID 115509629
2-(2-chloroethyl)-1-(cyclobutylmethyl)-4,6-difluorobenzimidazole
CID 113325667

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4,6-difluoro-1-(2-methoxycyclopentyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-4,6-difluoro-1-(2-methoxycyclopentyl)benzimidazole (CID 115509428) is 2-(chloromethyl)-4,6-difluoro-1-(2-methoxycyclopentyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-4,6-difluoro-1-(2-methoxycyclopentyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-4,6-difluoro-1-(2-methoxycyclopentyl)benzimidazole is COC1CCCC1n1c(CCl)nc2c(F)cc(F)cc21.
What is the InChIKey of 2-(chloromethyl)-4,6-difluoro-1-(2-methoxycyclopentyl)benzimidazole?
The InChIKey is SBKRIOZBKYGOOM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N2O/c1-20-12-4-2-3-10(12)19-11-6-8(16)5-9(17)14(11)18-13(19)7-15/h5-6,10,12H,2-4,7H2,1H3.
What are the key properties of 2-(chloromethyl)-4,6-difluoro-1-(2-methoxycyclopentyl)benzimidazole?
2-(chloromethyl)-4,6-difluoro-1-(2-methoxycyclopentyl)benzimidazole has a molecular weight of 300.74 g/mol, XLogP of 3.79, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4,6-difluoro-1-(2-methoxycyclopentyl)benzimidazole is sourced from PubChem (CID 115509428), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).