5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(3-fluorophenyl)-2,3-dimethylimidazol-4-one

C20H20F2N2O2 — CID 163963167

IUPAC5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(3-fluorophenyl)-2,3-dimethylimidazol-4-one
SMILESCC1=NC(c2cccc(F)c2)(c2ccc(OC(C)F)c(C)c2)C(=O)N1C
InChIInChI=1S/C20H20F2N2O2/c1-12-10-16(8-9-18(12)26-13(2)21)20(15-6-5-7-17(22)11-15)19(25)24(4)14(3)23-20/h5-11,13H,1-4H3
InChIKeySJHBJFYKEWOZTE-UHFFFAOYSA-N
MW358.39 g/mol
LogP3.96
Rot. Bonds4

About 5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(3-fluorophenyl)-2,3-dimethylimidazol-4-one

5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(3-fluorophenyl)-2,3-dimethylimidazol-4-one (PubChem CID 163963167) has the molecular formula C20H20F2N2O2 and a molecular weight of 358.39 g/mol. Its IUPAC name is 5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(3-fluorophenyl)-2,3-dimethylimidazol-4-one.

Molecular Properties

Compound Name5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(3-fluorophenyl)-2,3-dimethylimidazol-4-one
PubChem CID163963167
Molecular FormulaC20H20F2N2O2
Molecular Weight358.39 g/mol
Exact Mass358.15
IUPAC Name5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(3-fluorophenyl)-2,3-dimethylimidazol-4-one
SMILESCC1=NC(c2cccc(F)c2)(c2ccc(OC(C)F)c(C)c2)C(=O)N1C
InChIInChI=1S/C20H20F2N2O2/c1-12-10-16(8-9-18(12)26-13(2)21)20(15-6-5-7-17(22)11-15)19(25)24(4)14(3)23-20/h5-11,13H,1-4H3
InChIKeySJHBJFYKEWOZTE-UHFFFAOYSA-N
XLogP3.96
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.39
LogP ≤ 53.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(5r)-2-Amino-5-[4-(Difluoromethoxy)phenyl]-5-[4-Fluoro-3-(5-Fluoropent-1-Yn-1-Yl)phenyl]-3-Methyl-3,5-Dihydro-4h-Imidazol-4-One
CID 52948140
(R)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-(3-propylphenyl)-1H-imidazol-5(4H)-one
CID 16038399
(R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(4-fluoro-3-(3-fluoropropoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 16113206
(S)-2-amino-4-(4-(difluoromethoxy)phenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one
CID 16113753
(R)-2-amino-4-(3-butylphenyl)-4-(4-(difluoromethoxy)phenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 16113965
(R)-2-amino-4-(3-(2,2-difluoroethoxy)-4-fluorophenyl)-4-(4-(difluoromethoxy)-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 25069561
(R)-2-amino-4-(3-(cyclopropylethynyl)-4-fluorophenyl)-4-(4-(difluoromethoxy)-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 25070193
(S)-2-amino-4-(4-(difluoromethoxy)-3-methylphenyl)-1-methyl-4-phenyl-1H-imidazol-5(4H)-one
CID 25070195
(S)-2-amino-4-(3-(cyclopropylethynyl)phenyl)-4-(4-(difluoromethoxy)-3-methylphenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 25072736
(R)-2-amino-4-(4-(difluoromethoxy)-3-methylphenyl)-4-(4-fluoro-3-(3-methoxyprop-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 25072741
(R)-2-amino-4-(4-(difluoromethoxy)-3-methylphenyl)-4-(4-fluoro-3-(pent-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 25073049
(R)-2-amino-4-(4-(difluoromethoxy)phenyl)-4-(4-fluoro-3-(prop-1-ynyl)phenyl)-1-methyl-1H-imidazol-5(4H)-one
CID 25127299

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(3-fluorophenyl)-2,3-dimethylimidazol-4-one?
The IUPAC name of 5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(3-fluorophenyl)-2,3-dimethylimidazol-4-one (CID 163963167) is 5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(3-fluorophenyl)-2,3-dimethylimidazol-4-one.
What is the SMILES notation for 5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(3-fluorophenyl)-2,3-dimethylimidazol-4-one?
The canonical SMILES for 5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(3-fluorophenyl)-2,3-dimethylimidazol-4-one is CC1=NC(c2cccc(F)c2)(c2ccc(OC(C)F)c(C)c2)C(=O)N1C.
What is the InChIKey of 5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(3-fluorophenyl)-2,3-dimethylimidazol-4-one?
The InChIKey is SJHBJFYKEWOZTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F2N2O2/c1-12-10-16(8-9-18(12)26-13(2)21)20(15-6-5-7-17(22)11-15)19(25)24(4)14(3)23-20/h5-11,13H,1-4H3.
What are the key properties of 5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(3-fluorophenyl)-2,3-dimethylimidazol-4-one?
5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(3-fluorophenyl)-2,3-dimethylimidazol-4-one has a molecular weight of 358.39 g/mol, XLogP of 3.96, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(1-fluoroethoxy)-3-methylphenyl]-5-(3-fluorophenyl)-2,3-dimethylimidazol-4-one is sourced from PubChem (CID 163963167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).