2-(1-chloroethyl)-1-(cyclopentylmethyl)-4-fluorobenzimidazole

C15H18ClFN2 — CID 60790255

IUPAC2-(1-chloroethyl)-1-(cyclopentylmethyl)-4-fluorobenzimidazole
SMILESCC(Cl)c1nc2c(F)cccc2n1CC1CCCC1
InChIInChI=1S/C15H18ClFN2/c1-10(16)15-18-14-12(17)7-4-8-13(14)19(15)9-11-5-2-3-6-11/h4,7-8,10-11H,2-3,5-6,9H2,1H3
InChIKeyGLKHGOCTBDSHOQ-UHFFFAOYSA-N
MW280.77 g/mol
LogP4.67
Rot. Bonds3

About 2-(1-chloroethyl)-1-(cyclopentylmethyl)-4-fluorobenzimidazole

2-(1-chloroethyl)-1-(cyclopentylmethyl)-4-fluorobenzimidazole (PubChem CID 60790255) has the molecular formula C15H18ClFN2 and a molecular weight of 280.77 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-(cyclopentylmethyl)-4-fluorobenzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-(cyclopentylmethyl)-4-fluorobenzimidazole
PubChem CID60790255
Molecular FormulaC15H18ClFN2
Molecular Weight280.77 g/mol
Exact Mass280.11
IUPAC Name2-(1-chloroethyl)-1-(cyclopentylmethyl)-4-fluorobenzimidazole
SMILESCC(Cl)c1nc2c(F)cccc2n1CC1CCCC1
InChIInChI=1S/C15H18ClFN2/c1-10(16)15-18-14-12(17)7-4-8-13(14)19(15)9-11-5-2-3-6-11/h4,7-8,10-11H,2-3,5-6,9H2,1H3
InChIKeyGLKHGOCTBDSHOQ-UHFFFAOYSA-N
XLogP4.67
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 ≤ 54.67
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)-1-(cyclopentylmethyl)-4-fluorobenzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-(cyclopentylmethyl)-4-fluorobenzimidazole (CID 60790255) is 2-(1-chloroethyl)-1-(cyclopentylmethyl)-4-fluorobenzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-(cyclopentylmethyl)-4-fluorobenzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-(cyclopentylmethyl)-4-fluorobenzimidazole is CC(Cl)c1nc2c(F)cccc2n1CC1CCCC1.
What is the InChIKey of 2-(1-chloroethyl)-1-(cyclopentylmethyl)-4-fluorobenzimidazole?
The InChIKey is GLKHGOCTBDSHOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2/c1-10(16)15-18-14-12(17)7-4-8-13(14)19(15)9-11-5-2-3-6-11/h4,7-8,10-11H,2-3,5-6,9H2,1H3.
What are the key properties of 2-(1-chloroethyl)-1-(cyclopentylmethyl)-4-fluorobenzimidazole?
2-(1-chloroethyl)-1-(cyclopentylmethyl)-4-fluorobenzimidazole has a molecular weight of 280.77 g/mol, XLogP of 4.67, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-(cyclopentylmethyl)-4-fluorobenzimidazole is sourced from PubChem (CID 60790255), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).