2-(1-chloroethyl)-4-fluoro-1-(3-methylcyclopentyl)benzimidazole

C15H18ClFN2 — CID 114548566

IUPAC2-(1-chloroethyl)-4-fluoro-1-(3-methylcyclopentyl)benzimidazole
SMILESCC1CCC(n2c(C(C)Cl)nc3c(F)cccc32)C1
InChIInChI=1S/C15H18ClFN2/c1-9-6-7-11(8-9)19-13-5-3-4-12(17)14(13)18-15(19)10(2)16/h3-5,9-11H,6-8H2,1-2H3
InChIKeyXBBLTCKMAKLQRG-UHFFFAOYSA-N
MW280.77 g/mol
LogP4.84
Rot. Bonds2

About 2-(1-chloroethyl)-4-fluoro-1-(3-methylcyclopentyl)benzimidazole

2-(1-chloroethyl)-4-fluoro-1-(3-methylcyclopentyl)benzimidazole (PubChem CID 114548566) has the molecular formula C15H18ClFN2 and a molecular weight of 280.77 g/mol. Its IUPAC name is 2-(1-chloroethyl)-4-fluoro-1-(3-methylcyclopentyl)benzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-4-fluoro-1-(3-methylcyclopentyl)benzimidazole
PubChem CID114548566
Molecular FormulaC15H18ClFN2
Molecular Weight280.77 g/mol
Exact Mass280.11
IUPAC Name2-(1-chloroethyl)-4-fluoro-1-(3-methylcyclopentyl)benzimidazole
SMILESCC1CCC(n2c(C(C)Cl)nc3c(F)cccc32)C1
InChIInChI=1S/C15H18ClFN2/c1-9-6-7-11(8-9)19-13-5-3-4-12(17)14(13)18-15(19)10(2)16/h3-5,9-11H,6-8H2,1-2H3
InChIKeyXBBLTCKMAKLQRG-UHFFFAOYSA-N
XLogP4.84
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.77
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(1-chloroethyl)-4-fluoro-1-(3-methylcyclopentyl)benzimidazole?
The IUPAC name of 2-(1-chloroethyl)-4-fluoro-1-(3-methylcyclopentyl)benzimidazole (CID 114548566) is 2-(1-chloroethyl)-4-fluoro-1-(3-methylcyclopentyl)benzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-4-fluoro-1-(3-methylcyclopentyl)benzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-4-fluoro-1-(3-methylcyclopentyl)benzimidazole is CC1CCC(n2c(C(C)Cl)nc3c(F)cccc32)C1.
What is the InChIKey of 2-(1-chloroethyl)-4-fluoro-1-(3-methylcyclopentyl)benzimidazole?
The InChIKey is XBBLTCKMAKLQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2/c1-9-6-7-11(8-9)19-13-5-3-4-12(17)14(13)18-15(19)10(2)16/h3-5,9-11H,6-8H2,1-2H3.
What are the key properties of 2-(1-chloroethyl)-4-fluoro-1-(3-methylcyclopentyl)benzimidazole?
2-(1-chloroethyl)-4-fluoro-1-(3-methylcyclopentyl)benzimidazole has a molecular weight of 280.77 g/mol, XLogP of 4.84, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-4-fluoro-1-(3-methylcyclopentyl)benzimidazole is sourced from PubChem (CID 114548566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).