2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4,6-difluorobenzimidazole

C15H17ClF2N2 — CID 115509592

IUPAC2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4,6-difluorobenzimidazole
SMILESCC1CCC(n2c(CCl)nc3c(F)cc(F)cc32)C1C
InChIInChI=1S/C15H17ClF2N2/c1-8-3-4-12(9(8)2)20-13-6-10(17)5-11(18)15(13)19-14(20)7-16/h5-6,8-9,12H,3-4,7H2,1-2H3
InChIKeyRMBBABJASQKWQK-UHFFFAOYSA-N
MW298.76 g/mol
LogP4.66
Rot. Bonds2

About 2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4,6-difluorobenzimidazole

2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4,6-difluorobenzimidazole (PubChem CID 115509592) has the molecular formula C15H17ClF2N2 and a molecular weight of 298.76 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4,6-difluorobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4,6-difluorobenzimidazole
PubChem CID115509592
Molecular FormulaC15H17ClF2N2
Molecular Weight298.76 g/mol
Exact Mass298.10
IUPAC Name2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4,6-difluorobenzimidazole
SMILESCC1CCC(n2c(CCl)nc3c(F)cc(F)cc32)C1C
InChIInChI=1S/C15H17ClF2N2/c1-8-3-4-12(9(8)2)20-13-6-10(17)5-11(18)15(13)19-14(20)7-16/h5-6,8-9,12H,3-4,7H2,1-2H3
InChIKeyRMBBABJASQKWQK-UHFFFAOYSA-N
XLogP4.66
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.76
LogP ≤ 54.66
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-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole
CID 64921459
2-(chloromethyl)-1-cyclopropyl-4,6-difluorobenzimidazole
CID 115509040
2-(chloromethyl)-4,6-difluoro-1-(2-methoxycyclopentyl)benzimidazole
CID 115509428
2-(chloromethyl)-1-(4-ethylcyclohexyl)-4,6-difluorobenzimidazole
CID 115509297
2-(2-chloroethyl)-4,6-difluoro-1-(4-methylcyclohexyl)benzimidazole
CID 104963478
5-bromo-2-(chloromethyl)-6-fluoro-1-(2-methylcyclopentyl)benzimidazole
CID 66087515
2-(2-chloroethyl)-4,6-difluoro-1-(oxan-4-yl)benzimidazole
CID 115509237
2-(chloromethyl)-1-(3,5-dimethylphenyl)-4,6-difluorobenzimidazole
CID 115509139
2-(chloromethyl)-1-(cyclohexylmethyl)-4,6-difluorobenzimidazole
CID 115509193
2-(chloromethyl)-1-(2,4-dimethylcyclohexyl)-5-fluorobenzimidazole
CID 63997551
2-(chloromethyl)-4,6-difluoro-1-(2-methylpropyl)benzimidazole
CID 115509041
3-(2,3-dimethylcyclopentyl)-5,7-difluoro-1H-benzimidazole-2-thione
CID 115508432

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4,6-difluorobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4,6-difluorobenzimidazole (CID 115509592) is 2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4,6-difluorobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4,6-difluorobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4,6-difluorobenzimidazole is CC1CCC(n2c(CCl)nc3c(F)cc(F)cc32)C1C.
What is the InChIKey of 2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4,6-difluorobenzimidazole?
The InChIKey is RMBBABJASQKWQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClF2N2/c1-8-3-4-12(9(8)2)20-13-6-10(17)5-11(18)15(13)19-14(20)7-16/h5-6,8-9,12H,3-4,7H2,1-2H3.
What are the key properties of 2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4,6-difluorobenzimidazole?
2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4,6-difluorobenzimidazole has a molecular weight of 298.76 g/mol, XLogP of 4.66, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4,6-difluorobenzimidazole is sourced from PubChem (CID 115509592), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).