2-(chloromethyl)-6,7-difluoro-1-(2-methylcyclopentyl)benzimidazole

C14H15ClF2N2 — CID 63281505

IUPAC2-(chloromethyl)-6,7-difluoro-1-(2-methylcyclopentyl)benzimidazole
SMILESCC1CCCC1n1c(CCl)nc2ccc(F)c(F)c21
InChIInChI=1S/C14H15ClF2N2/c1-8-3-2-4-11(8)19-12(7-15)18-10-6-5-9(16)13(17)14(10)19/h5-6,8,11H,2-4,7H2,1H3
InChIKeyCQKIJFMILKKFJV-UHFFFAOYSA-N
MW284.74 g/mol
LogP4.41
Rot. Bonds2

About 2-(chloromethyl)-6,7-difluoro-1-(2-methylcyclopentyl)benzimidazole

2-(chloromethyl)-6,7-difluoro-1-(2-methylcyclopentyl)benzimidazole (PubChem CID 63281505) has the molecular formula C14H15ClF2N2 and a molecular weight of 284.74 g/mol. Its IUPAC name is 2-(chloromethyl)-6,7-difluoro-1-(2-methylcyclopentyl)benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-6,7-difluoro-1-(2-methylcyclopentyl)benzimidazole
PubChem CID63281505
Molecular FormulaC14H15ClF2N2
Molecular Weight284.74 g/mol
Exact Mass284.09
IUPAC Name2-(chloromethyl)-6,7-difluoro-1-(2-methylcyclopentyl)benzimidazole
SMILESCC1CCCC1n1c(CCl)nc2ccc(F)c(F)c21
InChIInChI=1S/C14H15ClF2N2/c1-8-3-2-4-11(8)19-12(7-15)18-10-6-5-9(16)13(17)14(10)19/h5-6,8,11H,2-4,7H2,1H3
InChIKeyCQKIJFMILKKFJV-UHFFFAOYSA-N
XLogP4.41
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.74
LogP ≤ 54.41
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-chloro-2-(chloromethyl)-1-(2-methylcyclopentyl)benzimidazole
CID 55172239
2-(chloromethyl)-5-methyl-3-(2-methylcyclopentyl)imidazo[4,5-b]pyridine
CID 81135553
5-bromo-2-(chloromethyl)-6-fluoro-1-(2-methylcyclopentyl)benzimidazole
CID 66087515
2-(chloromethyl)-1-(1-ethylpiperidin-3-yl)-6,7-difluorobenzimidazole
CID 62533906
2-(chloromethyl)-1-(2-cyclohexylethyl)-6,7-difluorobenzimidazole
CID 63545394
2-(2-chloroethyl)-1-(cyclobutylmethyl)-6,7-difluorobenzimidazole
CID 55086323
2-(2-chloroethyl)-1-(3,3-dimethylcyclopentyl)-6,7-difluorobenzimidazole
CID 114548640
2-(1-chloroethyl)-6,7-difluoro-1-(3-methylcyclohexyl)benzimidazole
CID 63545383
2-(2-chloroethyl)-1-(2-cyclopentylethyl)-6,7-difluorobenzimidazole
CID 62531724
2-(2-chloroethyl)-6,7-difluoro-1-(oxolan-3-yl)benzimidazole
CID 80713679
2-(chloromethyl)-6,7-difluoro-1-(2-piperidin-1-ylethyl)benzimidazole
CID 62531896
6-bromo-2-(chloromethyl)-3-(2-methylcyclohexyl)imidazo[4,5-b]pyridine
CID 79302450

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-6,7-difluoro-1-(2-methylcyclopentyl)benzimidazole?
The IUPAC name of 2-(chloromethyl)-6,7-difluoro-1-(2-methylcyclopentyl)benzimidazole (CID 63281505) is 2-(chloromethyl)-6,7-difluoro-1-(2-methylcyclopentyl)benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-6,7-difluoro-1-(2-methylcyclopentyl)benzimidazole?
The canonical SMILES for 2-(chloromethyl)-6,7-difluoro-1-(2-methylcyclopentyl)benzimidazole is CC1CCCC1n1c(CCl)nc2ccc(F)c(F)c21.
What is the InChIKey of 2-(chloromethyl)-6,7-difluoro-1-(2-methylcyclopentyl)benzimidazole?
The InChIKey is CQKIJFMILKKFJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClF2N2/c1-8-3-2-4-11(8)19-12(7-15)18-10-6-5-9(16)13(17)14(10)19/h5-6,8,11H,2-4,7H2,1H3.
What are the key properties of 2-(chloromethyl)-6,7-difluoro-1-(2-methylcyclopentyl)benzimidazole?
2-(chloromethyl)-6,7-difluoro-1-(2-methylcyclopentyl)benzimidazole has a molecular weight of 284.74 g/mol, XLogP of 4.41, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-6,7-difluoro-1-(2-methylcyclopentyl)benzimidazole is sourced from PubChem (CID 63281505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).