1-[(4-fluorophenyl)methyl]-5-phenylimidazole

C16H13FN2 — CID 45103808

IUPAC1-[(4-fluorophenyl)methyl]-5-phenylimidazole
SMILESFc1ccc(Cn2cncc2-c2ccccc2)cc1
InChIInChI=1S/C16H13FN2/c17-15-8-6-13(7-9-15)11-19-12-18-10-16(19)14-4-2-1-3-5-14/h1-10,12H,11H2
InChIKeyOLGSJJAJXFNAKF-UHFFFAOYSA-N
MW252.29 g/mol
LogP3.74
Rot. Bonds3

About 1-[(4-fluorophenyl)methyl]-5-phenylimidazole

1-[(4-fluorophenyl)methyl]-5-phenylimidazole (PubChem CID 45103808) has the molecular formula C16H13FN2 and a molecular weight of 252.29 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-5-phenylimidazole.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-5-phenylimidazole
PubChem CID45103808
Molecular FormulaC16H13FN2
Molecular Weight252.29 g/mol
Exact Mass252.11
IUPAC Name1-[(4-fluorophenyl)methyl]-5-phenylimidazole
SMILESFc1ccc(Cn2cncc2-c2ccccc2)cc1
InChIInChI=1S/C16H13FN2/c17-15-8-6-13(7-9-15)11-19-12-18-10-16(19)14-4-2-1-3-5-14/h1-10,12H,11H2
InChIKeyOLGSJJAJXFNAKF-UHFFFAOYSA-N
XLogP3.74
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.29
LogP ≤ 53.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-5-phenylimidazole?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-5-phenylimidazole (CID 45103808) is 1-[(4-fluorophenyl)methyl]-5-phenylimidazole.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-5-phenylimidazole?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-5-phenylimidazole is Fc1ccc(Cn2cncc2-c2ccccc2)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-5-phenylimidazole?
The InChIKey is OLGSJJAJXFNAKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2/c17-15-8-6-13(7-9-15)11-19-12-18-10-16(19)14-4-2-1-3-5-14/h1-10,12H,11H2.
What are the key properties of 1-[(4-fluorophenyl)methyl]-5-phenylimidazole?
1-[(4-fluorophenyl)methyl]-5-phenylimidazole has a molecular weight of 252.29 g/mol, XLogP of 3.74, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-5-phenylimidazole is sourced from PubChem (CID 45103808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).