2-(4-fluorophenyl)-1-pentylbenzimidazole

C18H19FN2 — CID 19243184

IUPAC2-(4-fluorophenyl)-1-pentylbenzimidazole
SMILESCCCCCn1c(-c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C18H19FN2/c1-2-3-6-13-21-17-8-5-4-7-16(17)20-18(21)14-9-11-15(19)12-10-14/h4-5,7-12H,2-3,6,13H2,1H3
InChIKeyWGLXUJQQHIEWIU-UHFFFAOYSA-N
MW282.36 g/mol
LogP5.03
Rot. Bonds5

About 2-(4-fluorophenyl)-1-pentylbenzimidazole

2-(4-fluorophenyl)-1-pentylbenzimidazole (PubChem CID 19243184) has the molecular formula C18H19FN2 and a molecular weight of 282.36 g/mol. Its IUPAC name is 2-(4-fluorophenyl)-1-pentylbenzimidazole.

Molecular Properties

Compound Name2-(4-fluorophenyl)-1-pentylbenzimidazole
PubChem CID19243184
Molecular FormulaC18H19FN2
Molecular Weight282.36 g/mol
Exact Mass282.15
IUPAC Name2-(4-fluorophenyl)-1-pentylbenzimidazole
SMILESCCCCCn1c(-c2ccc(F)cc2)nc2ccccc21
InChIInChI=1S/C18H19FN2/c1-2-3-6-13-21-17-8-5-4-7-16(17)20-18(21)14-9-11-15(19)12-10-14/h4-5,7-12H,2-3,6,13H2,1H3
InChIKeyWGLXUJQQHIEWIU-UHFFFAOYSA-N
XLogP5.03
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500282.36
LogP ≤ 55.03
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-(4-fluorophenyl)-1-pentylbenzimidazole?
The IUPAC name of 2-(4-fluorophenyl)-1-pentylbenzimidazole (CID 19243184) is 2-(4-fluorophenyl)-1-pentylbenzimidazole.
What is the SMILES notation for 2-(4-fluorophenyl)-1-pentylbenzimidazole?
The canonical SMILES for 2-(4-fluorophenyl)-1-pentylbenzimidazole is CCCCCn1c(-c2ccc(F)cc2)nc2ccccc21.
What is the InChIKey of 2-(4-fluorophenyl)-1-pentylbenzimidazole?
The InChIKey is WGLXUJQQHIEWIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19FN2/c1-2-3-6-13-21-17-8-5-4-7-16(17)20-18(21)14-9-11-15(19)12-10-14/h4-5,7-12H,2-3,6,13H2,1H3.
What are the key properties of 2-(4-fluorophenyl)-1-pentylbenzimidazole?
2-(4-fluorophenyl)-1-pentylbenzimidazole has a molecular weight of 282.36 g/mol, XLogP of 5.03, 5 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-fluorophenyl)-1-pentylbenzimidazole is sourced from PubChem (CID 19243184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).