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

C22H16F2N2O2 — CID 91564827

IUPAC4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-one
SMILESCOc1ccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)C(=O)N2)cc1
InChIInChI=1S/C22H16F2N2O2/c1-28-19-12-2-14(3-13-19)20-25-21(27)22(26-20,15-4-8-17(23)9-5-15)16-6-10-18(24)11-7-16/h2-13H,1H3,(H,25,26,27)
InChIKeyKUBWYFNIBJDQOE-UHFFFAOYSA-N
MW378.38 g/mol
LogP3.79
Rot. Bonds4

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

4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-one (PubChem CID 91564827) has the molecular formula C22H16F2N2O2 and a molecular weight of 378.38 g/mol. Its IUPAC name is 4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-one.

Molecular Properties

Compound Name4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-one
PubChem CID91564827
Molecular FormulaC22H16F2N2O2
Molecular Weight378.38 g/mol
Exact Mass378.12
IUPAC Name4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-one
SMILESCOc1ccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)C(=O)N2)cc1
InChIInChI=1S/C22H16F2N2O2/c1-28-19-12-2-14(3-13-19)20-25-21(27)22(26-20,15-4-8-17(23)9-5-15)16-6-10-18(24)11-7-16/h2-13H,1H3,(H,25,26,27)
InChIKeyKUBWYFNIBJDQOE-UHFFFAOYSA-N
XLogP3.79
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.38
LogP ≤ 53.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-[1-(4-methoxybenzyl)-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-4-methylbenzamide
CID 15987560
2-Amino-3-benzyl-5,5-bis(4-methoxyphenyl)imidazol-4-one
CID 76324855
N-{1-[(4-Methoxyphenyl)methyl]-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-YL}-2-methylbenzamide
CID 15987564
2-Amino-5,5-bis(4-methoxyphenyl)-3-(2-phenylbutyl)imidazol-4-one
CID 76310281
2-Amino-5,5-bis(4-methoxyphenyl)-3-(3-phenylpropyl)imidazol-4-one
CID 76317505
N-(4-methoxybenzyl)-2-[(4-oxo-5,5-diphenyl-4,5-dihydro-1H-imidazol-2-yl)amino]acetamide
CID 135474672
2-Amino-5,5-bis(4-methoxyphenyl)-3-[(2-methylphenyl)methyl]imidazol-4-one
CID 86275289
2-Amino-5,5-bis(4-methoxyphenyl)-3-[[2-(trifluoromethyl)phenyl]methyl]imidazol-4-one
CID 117600493
N-[1-(4-methoxybenzyl)-5-oxo-2-phenyl-4-(trifluoromethyl)-4,5-dihydro-1H-imidazol-4-yl]-3-methylbenzamide
CID 15987562
2-Amino-5,5-bis(4-methoxyphenyl)-3-(2-phenylethyl)imidazol-4-one
CID 76321235
2-Amino-3-benzyl-5-[4-(difluoromethoxy)-3-methylphenyl]-5-(3-fluorophenyl)imidazol-4-one
CID 138468851
2-amino-4-[4-(difluoromethoxy)phenyl]-4-(3,5-difluorophenyl)-1H-imidazol-5-one
CID 162533860

Frequently Asked Questions

What is the IUPAC name of 4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-one?
The IUPAC name of 4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-one (CID 91564827) is 4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-one.
What is the SMILES notation for 4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-one?
The canonical SMILES for 4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-one is COc1ccc(C2=NC(c3ccc(F)cc3)(c3ccc(F)cc3)C(=O)N2)cc1.
What is the InChIKey of 4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-one?
The InChIKey is KUBWYFNIBJDQOE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16F2N2O2/c1-28-19-12-2-14(3-13-19)20-25-21(27)22(26-20,15-4-8-17(23)9-5-15)16-6-10-18(24)11-7-16/h2-13H,1H3,(H,25,26,27).
What are the key properties of 4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-one?
4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-one has a molecular weight of 378.38 g/mol, XLogP of 3.79, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,4-bis(4-fluorophenyl)-2-(4-methoxyphenyl)-1H-imidazol-5-one is sourced from PubChem (CID 91564827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).