ethyl 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydroimidazole-1-carboxylate

C25H22F2N2O2 — CID 18735299

IUPACethyl 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydroimidazole-1-carboxylate
SMILESCCOC(=O)N1CC(c2ccc(-c3ccc(C)cc3)cc2)N=C1c1c(F)cccc1F
InChIInChI=1S/C25H22F2N2O2/c1-3-31-25(30)29-15-22(28-24(29)23-20(26)5-4-6-21(23)27)19-13-11-18(12-14-19)17-9-7-16(2)8-10-17/h4-14,22H,3,15H2,1-2H3
InChIKeyZUHOZJPSFRSVSK-UHFFFAOYSA-N
MW420.46 g/mol
LogP5.90
Rot. Bonds4

About ethyl 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydroimidazole-1-carboxylate

ethyl 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydroimidazole-1-carboxylate (PubChem CID 18735299) has the molecular formula C25H22F2N2O2 and a molecular weight of 420.46 g/mol. Its IUPAC name is ethyl 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydroimidazole-1-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydroimidazole-1-carboxylate
PubChem CID18735299
Molecular FormulaC25H22F2N2O2
Molecular Weight420.46 g/mol
Exact Mass420.16
IUPAC Nameethyl 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydroimidazole-1-carboxylate
SMILESCCOC(=O)N1CC(c2ccc(-c3ccc(C)cc3)cc2)N=C1c1c(F)cccc1F
InChIInChI=1S/C25H22F2N2O2/c1-3-31-25(30)29-15-22(28-24(29)23-20(26)5-4-6-21(23)27)19-13-11-18(12-14-19)17-9-7-16(2)8-10-17/h4-14,22H,3,15H2,1-2H3
InChIKeyZUHOZJPSFRSVSK-UHFFFAOYSA-N
XLogP5.90
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.46
LogP ≤ 55.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze ethyl 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydroimidazole-1-carboxylate 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 ethyl 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydroimidazole-1-carboxylate?
The IUPAC name of ethyl 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydroimidazole-1-carboxylate (CID 18735299) is ethyl 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydroimidazole-1-carboxylate.
What is the SMILES notation for ethyl 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydroimidazole-1-carboxylate?
The canonical SMILES for ethyl 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydroimidazole-1-carboxylate is CCOC(=O)N1CC(c2ccc(-c3ccc(C)cc3)cc2)N=C1c1c(F)cccc1F.
What is the InChIKey of ethyl 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydroimidazole-1-carboxylate?
The InChIKey is ZUHOZJPSFRSVSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22F2N2O2/c1-3-31-25(30)29-15-22(28-24(29)23-20(26)5-4-6-21(23)27)19-13-11-18(12-14-19)17-9-7-16(2)8-10-17/h4-14,22H,3,15H2,1-2H3.
What are the key properties of ethyl 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydroimidazole-1-carboxylate?
ethyl 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydroimidazole-1-carboxylate has a molecular weight of 420.46 g/mol, XLogP of 5.90, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2,6-difluorophenyl)-4-[4-(4-methylphenyl)phenyl]-4,5-dihydroimidazole-1-carboxylate is sourced from PubChem (CID 18735299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).