2-(chloromethyl)-1-(1-cyclohexylpropyl)-5-fluorobenzimidazole

C17H22ClFN2 — CID 63547042

IUPAC2-(chloromethyl)-1-(1-cyclohexylpropyl)-5-fluorobenzimidazole
SMILESCCC(C1CCCCC1)n1c(CCl)nc2cc(F)ccc21
InChIInChI=1S/C17H22ClFN2/c1-2-15(12-6-4-3-5-7-12)21-16-9-8-13(19)10-14(16)20-17(21)11-18/h8-10,12,15H,2-7,11H2,1H3
InChIKeyUWJGFQAEPINCQX-UHFFFAOYSA-N
MW308.83 g/mol
LogP5.45
Rot. Bonds4

About 2-(chloromethyl)-1-(1-cyclohexylpropyl)-5-fluorobenzimidazole

2-(chloromethyl)-1-(1-cyclohexylpropyl)-5-fluorobenzimidazole (PubChem CID 63547042) has the molecular formula C17H22ClFN2 and a molecular weight of 308.83 g/mol. Its IUPAC name is 2-(chloromethyl)-1-(1-cyclohexylpropyl)-5-fluorobenzimidazole.

Molecular Properties

Compound Name2-(chloromethyl)-1-(1-cyclohexylpropyl)-5-fluorobenzimidazole
PubChem CID63547042
Molecular FormulaC17H22ClFN2
Molecular Weight308.83 g/mol
Exact Mass308.15
IUPAC Name2-(chloromethyl)-1-(1-cyclohexylpropyl)-5-fluorobenzimidazole
SMILESCCC(C1CCCCC1)n1c(CCl)nc2cc(F)ccc21
InChIInChI=1S/C17H22ClFN2/c1-2-15(12-6-4-3-5-7-12)21-16-9-8-13(19)10-14(16)20-17(21)11-18/h8-10,12,15H,2-7,11H2,1H3
InChIKeyUWJGFQAEPINCQX-UHFFFAOYSA-N
XLogP5.45
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500308.83
LogP ≤ 55.45
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-(chloromethyl)-1-(1-cyclohexylpropyl)-5-fluorobenzimidazole?
The IUPAC name of 2-(chloromethyl)-1-(1-cyclohexylpropyl)-5-fluorobenzimidazole (CID 63547042) is 2-(chloromethyl)-1-(1-cyclohexylpropyl)-5-fluorobenzimidazole.
What is the SMILES notation for 2-(chloromethyl)-1-(1-cyclohexylpropyl)-5-fluorobenzimidazole?
The canonical SMILES for 2-(chloromethyl)-1-(1-cyclohexylpropyl)-5-fluorobenzimidazole is CCC(C1CCCCC1)n1c(CCl)nc2cc(F)ccc21.
What is the InChIKey of 2-(chloromethyl)-1-(1-cyclohexylpropyl)-5-fluorobenzimidazole?
The InChIKey is UWJGFQAEPINCQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22ClFN2/c1-2-15(12-6-4-3-5-7-12)21-16-9-8-13(19)10-14(16)20-17(21)11-18/h8-10,12,15H,2-7,11H2,1H3.
What are the key properties of 2-(chloromethyl)-1-(1-cyclohexylpropyl)-5-fluorobenzimidazole?
2-(chloromethyl)-1-(1-cyclohexylpropyl)-5-fluorobenzimidazole has a molecular weight of 308.83 g/mol, XLogP of 5.45, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(chloromethyl)-1-(1-cyclohexylpropyl)-5-fluorobenzimidazole is sourced from PubChem (CID 63547042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).