2-(chloromethyl)-4-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole

C15H18ClFN2 — CID 107414406

IUPAC2-(chloromethyl)-4-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole
SMILESCC1CCC(Cn2c(CCl)nc3c(F)cccc32)C1
InChIInChI=1S/C15H18ClFN2/c1-10-5-6-11(7-10)9-19-13-4-2-3-12(17)15(13)18-14(19)8-16/h2-4,10-11H,5-9H2,1H3
InChIKeyBMPRLWORZAPEGQ-UHFFFAOYSA-N
MW280.77 g/mol
LogP4.35
Rot. Bonds3

About 2-(chloromethyl)-4-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole

2-(chloromethyl)-4-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole (PubChem CID 107414406) has the molecular formula C15H18ClFN2 and a molecular weight of 280.77 g/mol. Its IUPAC name is 2-(chloromethyl)-4-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-4-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole
PubChem CID107414406
Molecular FormulaC15H18ClFN2
Molecular Weight280.77 g/mol
Exact Mass280.11
IUPAC Name2-(chloromethyl)-4-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole
SMILESCC1CCC(Cn2c(CCl)nc3c(F)cccc32)C1
InChIInChI=1S/C15H18ClFN2/c1-10-5-6-11(7-10)9-19-13-4-2-3-12(17)15(13)18-14(19)8-16/h2-4,10-11H,5-9H2,1H3
InChIKeyBMPRLWORZAPEGQ-UHFFFAOYSA-N
XLogP4.35
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.77
LogP ≤ 54.35
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-(1-chloroethyl)-4-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole
CID 107414370
2-(chloromethyl)-4-fluoro-1-(thiolan-3-ylmethyl)benzimidazole
CID 107297263
4-chloro-2-(2-chloroethyl)-1-[(3-methylcyclopentyl)methyl]benzimidazole
CID 107414431
2-(chloromethyl)-4-fluoro-1-(2,2,2-trifluoroethyl)benzimidazole
CID 60789839
2-(chloromethyl)-4-fluoro-1-pentylbenzimidazole
CID 54920921
2-(2-chloroethyl)-4-fluoro-1-(oxan-4-ylmethyl)benzimidazole
CID 63713674
1-(7-bicyclo[4.2.0]octa-1,3,5-trienylmethyl)-2-(chloromethyl)-4-fluorobenzimidazole
CID 66410407
2-(2-chloroethyl)-1-(2,4-dimethylcyclohexyl)-4-fluorobenzimidazole
CID 63999171
2-(chloromethyl)-4-fluoro-1-(1-methylpiperidin-3-yl)benzimidazole
CID 61222380
2-(chloromethyl)-4-fluoro-1-[2-(1-methyl-1,2,4-triazol-3-yl)ethyl]benzimidazole
CID 80686060
2-(chloromethyl)-1-(2,3-dimethylcyclopentyl)-4-fluorobenzimidazole
CID 64921459
2-(chloromethyl)-4-fluoro-1-(1-methylpiperidin-4-yl)benzimidazole
CID 60788770

Frequently Asked Questions

What is the IUPAC name of 2-(chloromethyl)-4-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole?
The IUPAC name of 2-(chloromethyl)-4-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole (CID 107414406) is 2-(chloromethyl)-4-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole.
What is the SMILES notation for 2-(chloromethyl)-4-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole?
The canonical SMILES for 2-(chloromethyl)-4-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole is CC1CCC(Cn2c(CCl)nc3c(F)cccc32)C1.
What is the InChIKey of 2-(chloromethyl)-4-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole?
The InChIKey is BMPRLWORZAPEGQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2/c1-10-5-6-11(7-10)9-19-13-4-2-3-12(17)15(13)18-14(19)8-16/h2-4,10-11H,5-9H2,1H3.
What are the key properties of 2-(chloromethyl)-4-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole?
2-(chloromethyl)-4-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole has a molecular weight of 280.77 g/mol, XLogP of 4.35, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-4-fluoro-1-[(3-methylcyclopentyl)methyl]benzimidazole is sourced from PubChem (CID 107414406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).