5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)imidazol-4-one

C20H20F4N2O2 — CID 135215308

IUPAC5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)imidazol-4-one
SMILESCC1=NC(C2=CC(F)C(F)C(F)=C2)(c2ccc(OC(C)F)c(C)c2)C(=O)N1C
InChIInChI=1S/C20H20F4N2O2/c1-10-7-13(5-6-17(10)28-11(2)21)20(19(27)26(4)12(3)25-20)14-8-15(22)18(24)16(23)9-14/h5-9,11,15,18H,1-4H3
InChIKeyGGMFCQXGHMTRII-UHFFFAOYSA-N
MW396.38 g/mol
LogP4.24
Rot. Bonds4

About 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)imidazol-4-one

5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)imidazol-4-one (PubChem CID 135215308) has the molecular formula C20H20F4N2O2 and a molecular weight of 396.38 g/mol. Its IUPAC name is 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)imidazol-4-one.

Molecular Properties

Compound Name5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)imidazol-4-one
PubChem CID135215308
Molecular FormulaC20H20F4N2O2
Molecular Weight396.38 g/mol
Exact Mass396.15
IUPAC Name5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)imidazol-4-one
SMILESCC1=NC(C2=CC(F)C(F)C(F)=C2)(c2ccc(OC(C)F)c(C)c2)C(=O)N1C
InChIInChI=1S/C20H20F4N2O2/c1-10-7-13(5-6-17(10)28-11(2)21)20(19(27)26(4)12(3)25-20)14-8-15(22)18(24)16(23)9-14/h5-9,11,15,18H,1-4H3
InChIKeyGGMFCQXGHMTRII-UHFFFAOYSA-N
XLogP4.24
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.38
LogP ≤ 54.24
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)imidazol-4-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)imidazol-4-one?
The IUPAC name of 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)imidazol-4-one (CID 135215308) is 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)imidazol-4-one.
What is the SMILES notation for 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)imidazol-4-one?
The canonical SMILES for 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)imidazol-4-one is CC1=NC(C2=CC(F)C(F)C(F)=C2)(c2ccc(OC(C)F)c(C)c2)C(=O)N1C.
What is the InChIKey of 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)imidazol-4-one?
The InChIKey is GGMFCQXGHMTRII-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F4N2O2/c1-10-7-13(5-6-17(10)28-11(2)21)20(19(27)26(4)12(3)25-20)14-8-15(22)18(24)16(23)9-14/h5-9,11,15,18H,1-4H3.
What are the key properties of 5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)imidazol-4-one?
5-[4-(1-fluoroethoxy)-3-methylphenyl]-2,3-dimethyl-5-(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)imidazol-4-one has a molecular weight of 396.38 g/mol, XLogP of 4.24, 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]-2,3-dimethyl-5-(3,4,5-trifluorocyclohexa-1,5-dien-1-yl)imidazol-4-one is sourced from PubChem (CID 135215308), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).