4,4-bis(4-fluorophenyl)-2-methyl-1H-imidazol-5-one

C16H12F2N2O — CID 67474804

IUPAC4,4-bis(4-fluorophenyl)-2-methyl-1H-imidazol-5-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1
InChIInChI=1S/C16H12F2N2O/c1-10-19-15(21)16(20-10,11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9H,1H3,(H,19,20,21)
InChIKeyJGFOSHLNTUEAHC-UHFFFAOYSA-N
MW286.28 g/mol
LogP2.76
Rot. Bonds2

About 4,4-bis(4-fluorophenyl)-2-methyl-1H-imidazol-5-one

4,4-bis(4-fluorophenyl)-2-methyl-1H-imidazol-5-one (PubChem CID 67474804) has the molecular formula C16H12F2N2O and a molecular weight of 286.28 g/mol. Its IUPAC name is 4,4-bis(4-fluorophenyl)-2-methyl-1H-imidazol-5-one.

Molecular Properties

Compound Name4,4-bis(4-fluorophenyl)-2-methyl-1H-imidazol-5-one
PubChem CID67474804
Molecular FormulaC16H12F2N2O
Molecular Weight286.28 g/mol
Exact Mass286.09
IUPAC Name4,4-bis(4-fluorophenyl)-2-methyl-1H-imidazol-5-one
SMILESCC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1
InChIInChI=1S/C16H12F2N2O/c1-10-19-15(21)16(20-10,11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9H,1H3,(H,19,20,21)
InChIKeyJGFOSHLNTUEAHC-UHFFFAOYSA-N
XLogP2.76
TPSA41.46 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.28
LogP ≤ 52.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4,4-bis(4-fluorophenyl)-2-methyl-1H-imidazol-5-one?
The IUPAC name of 4,4-bis(4-fluorophenyl)-2-methyl-1H-imidazol-5-one (CID 67474804) is 4,4-bis(4-fluorophenyl)-2-methyl-1H-imidazol-5-one.
What is the SMILES notation for 4,4-bis(4-fluorophenyl)-2-methyl-1H-imidazol-5-one?
The canonical SMILES for 4,4-bis(4-fluorophenyl)-2-methyl-1H-imidazol-5-one is CC1=NC(c2ccc(F)cc2)(c2ccc(F)cc2)C(=O)N1.
What is the InChIKey of 4,4-bis(4-fluorophenyl)-2-methyl-1H-imidazol-5-one?
The InChIKey is JGFOSHLNTUEAHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12F2N2O/c1-10-19-15(21)16(20-10,11-2-6-13(17)7-3-11)12-4-8-14(18)9-5-12/h2-9H,1H3,(H,19,20,21).
What are the key properties of 4,4-bis(4-fluorophenyl)-2-methyl-1H-imidazol-5-one?
4,4-bis(4-fluorophenyl)-2-methyl-1H-imidazol-5-one has a molecular weight of 286.28 g/mol, XLogP of 2.76, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(4-fluorophenyl)-2-methyl-1H-imidazol-5-one is sourced from PubChem (CID 67474804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).