3-(3-fluoro-4-methylphenyl)-5-phenyl-1H-imidazol-2-one

C16H13FN2O — CID 3239189

IUPAC3-(3-fluoro-4-methylphenyl)-5-phenyl-1H-imidazol-2-one
SMILESCc1ccc(-n2cc(-c3ccccc3)[nH]c2=O)cc1F
InChIInChI=1S/C16H13FN2O/c1-11-7-8-13(9-14(11)17)19-10-15(18-16(19)20)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,20)
InChIKeyVLAGPVXLGPGIGL-UHFFFAOYSA-N
MW268.29 g/mol
LogP3.28
Rot. Bonds2

About 3-(3-fluoro-4-methylphenyl)-5-phenyl-1H-imidazol-2-one

3-(3-fluoro-4-methylphenyl)-5-phenyl-1H-imidazol-2-one (PubChem CID 3239189) has the molecular formula C16H13FN2O and a molecular weight of 268.29 g/mol. Its IUPAC name is 3-(3-fluoro-4-methylphenyl)-5-phenyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(3-fluoro-4-methylphenyl)-5-phenyl-1H-imidazol-2-one
PubChem CID3239189
Molecular FormulaC16H13FN2O
Molecular Weight268.29 g/mol
Exact Mass268.10
IUPAC Name3-(3-fluoro-4-methylphenyl)-5-phenyl-1H-imidazol-2-one
SMILESCc1ccc(-n2cc(-c3ccccc3)[nH]c2=O)cc1F
InChIInChI=1S/C16H13FN2O/c1-11-7-8-13(9-14(11)17)19-10-15(18-16(19)20)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,20)
InChIKeyVLAGPVXLGPGIGL-UHFFFAOYSA-N
XLogP3.28
TPSA37.79 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.29
LogP ≤ 53.28
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 3-(3-fluoro-4-methylphenyl)-5-phenyl-1H-imidazol-2-one?
The IUPAC name of 3-(3-fluoro-4-methylphenyl)-5-phenyl-1H-imidazol-2-one (CID 3239189) is 3-(3-fluoro-4-methylphenyl)-5-phenyl-1H-imidazol-2-one.
What is the SMILES notation for 3-(3-fluoro-4-methylphenyl)-5-phenyl-1H-imidazol-2-one?
The canonical SMILES for 3-(3-fluoro-4-methylphenyl)-5-phenyl-1H-imidazol-2-one is Cc1ccc(-n2cc(-c3ccccc3)[nH]c2=O)cc1F.
What is the InChIKey of 3-(3-fluoro-4-methylphenyl)-5-phenyl-1H-imidazol-2-one?
The InChIKey is VLAGPVXLGPGIGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN2O/c1-11-7-8-13(9-14(11)17)19-10-15(18-16(19)20)12-5-3-2-4-6-12/h2-10H,1H3,(H,18,20).
What are the key properties of 3-(3-fluoro-4-methylphenyl)-5-phenyl-1H-imidazol-2-one?
3-(3-fluoro-4-methylphenyl)-5-phenyl-1H-imidazol-2-one has a molecular weight of 268.29 g/mol, XLogP of 3.28, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-fluoro-4-methylphenyl)-5-phenyl-1H-imidazol-2-one is sourced from PubChem (CID 3239189), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).