1-[(4-fluorophenyl)methyl]-N-phenylimidazole-2-carboxamide

C17H14FN3O — CID 3723591

IUPAC1-[(4-fluorophenyl)methyl]-N-phenylimidazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nccn1Cc1ccc(F)cc1
InChIInChI=1S/C17H14FN3O/c18-14-8-6-13(7-9-14)12-21-11-10-19-16(21)17(22)20-15-4-2-1-3-5-15/h1-11H,12H2,(H,20,22)
InChIKeyZYXZDCHIOKOYCP-UHFFFAOYSA-N
MW295.32 g/mol
LogP3.32
Rot. Bonds4

About 1-[(4-fluorophenyl)methyl]-N-phenylimidazole-2-carboxamide

1-[(4-fluorophenyl)methyl]-N-phenylimidazole-2-carboxamide (PubChem CID 3723591) has the molecular formula C17H14FN3O and a molecular weight of 295.32 g/mol. Its IUPAC name is 1-[(4-fluorophenyl)methyl]-N-phenylimidazole-2-carboxamide.

Molecular Properties

Compound Name1-[(4-fluorophenyl)methyl]-N-phenylimidazole-2-carboxamide
PubChem CID3723591
Molecular FormulaC17H14FN3O
Molecular Weight295.32 g/mol
Exact Mass295.11
IUPAC Name1-[(4-fluorophenyl)methyl]-N-phenylimidazole-2-carboxamide
SMILESO=C(Nc1ccccc1)c1nccn1Cc1ccc(F)cc1
InChIInChI=1S/C17H14FN3O/c18-14-8-6-13(7-9-14)12-21-11-10-19-16(21)17(22)20-15-4-2-1-3-5-15/h1-11H,12H2,(H,20,22)
InChIKeyZYXZDCHIOKOYCP-UHFFFAOYSA-N
XLogP3.32
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.32
LogP ≤ 53.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(4-fluorophenyl)methyl]-N-phenylimidazole-2-carboxamide?
The IUPAC name of 1-[(4-fluorophenyl)methyl]-N-phenylimidazole-2-carboxamide (CID 3723591) is 1-[(4-fluorophenyl)methyl]-N-phenylimidazole-2-carboxamide.
What is the SMILES notation for 1-[(4-fluorophenyl)methyl]-N-phenylimidazole-2-carboxamide?
The canonical SMILES for 1-[(4-fluorophenyl)methyl]-N-phenylimidazole-2-carboxamide is O=C(Nc1ccccc1)c1nccn1Cc1ccc(F)cc1.
What is the InChIKey of 1-[(4-fluorophenyl)methyl]-N-phenylimidazole-2-carboxamide?
The InChIKey is ZYXZDCHIOKOYCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14FN3O/c18-14-8-6-13(7-9-14)12-21-11-10-19-16(21)17(22)20-15-4-2-1-3-5-15/h1-11H,12H2,(H,20,22).
What are the key properties of 1-[(4-fluorophenyl)methyl]-N-phenylimidazole-2-carboxamide?
1-[(4-fluorophenyl)methyl]-N-phenylimidazole-2-carboxamide has a molecular weight of 295.32 g/mol, XLogP of 3.32, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-fluorophenyl)methyl]-N-phenylimidazole-2-carboxamide is sourced from PubChem (CID 3723591), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).