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

C15H18ClFN2 — CID 54920356

IUPAC2-(1-chloroethyl)-1-cyclohexyl-4-fluorobenzimidazole
SMILESCC(Cl)c1nc2c(F)cccc2n1C1CCCCC1
InChIInChI=1S/C15H18ClFN2/c1-10(16)15-18-14-12(17)8-5-9-13(14)19(15)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3
InChIKeyPPQXKELRTSBRBJ-UHFFFAOYSA-N
MW280.77 g/mol
LogP4.98
Rot. Bonds2

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

2-(1-chloroethyl)-1-cyclohexyl-4-fluorobenzimidazole (PubChem CID 54920356) has the molecular formula C15H18ClFN2 and a molecular weight of 280.77 g/mol. Its IUPAC name is 2-(1-chloroethyl)-1-cyclohexyl-4-fluorobenzimidazole.

Molecular Properties

Compound Name2-(1-chloroethyl)-1-cyclohexyl-4-fluorobenzimidazole
PubChem CID54920356
Molecular FormulaC15H18ClFN2
Molecular Weight280.77 g/mol
Exact Mass280.11
IUPAC Name2-(1-chloroethyl)-1-cyclohexyl-4-fluorobenzimidazole
SMILESCC(Cl)c1nc2c(F)cccc2n1C1CCCCC1
InChIInChI=1S/C15H18ClFN2/c1-10(16)15-18-14-12(17)8-5-9-13(14)19(15)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3
InChIKeyPPQXKELRTSBRBJ-UHFFFAOYSA-N
XLogP4.98
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 ≤ 54.98
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-cyclohexyl-4-fluorobenzimidazole?
The IUPAC name of 2-(1-chloroethyl)-1-cyclohexyl-4-fluorobenzimidazole (CID 54920356) is 2-(1-chloroethyl)-1-cyclohexyl-4-fluorobenzimidazole.
What is the SMILES notation for 2-(1-chloroethyl)-1-cyclohexyl-4-fluorobenzimidazole?
The canonical SMILES for 2-(1-chloroethyl)-1-cyclohexyl-4-fluorobenzimidazole is CC(Cl)c1nc2c(F)cccc2n1C1CCCCC1.
What is the InChIKey of 2-(1-chloroethyl)-1-cyclohexyl-4-fluorobenzimidazole?
The InChIKey is PPQXKELRTSBRBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18ClFN2/c1-10(16)15-18-14-12(17)8-5-9-13(14)19(15)11-6-3-2-4-7-11/h5,8-11H,2-4,6-7H2,1H3.
What are the key properties of 2-(1-chloroethyl)-1-cyclohexyl-4-fluorobenzimidazole?
2-(1-chloroethyl)-1-cyclohexyl-4-fluorobenzimidazole has a molecular weight of 280.77 g/mol, XLogP of 4.98, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-chloroethyl)-1-cyclohexyl-4-fluorobenzimidazole is sourced from PubChem (CID 54920356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).