1-[(3,4-difluorophenyl)methyl]-4-ethyl-3-propylimidazol-2-one;4-methylphenol

C22H26F2N2O2 — CID 142249785

IUPAC1-[(3,4-difluorophenyl)methyl]-4-ethyl-3-propylimidazol-2-one;4-methylphenol
SMILESCCCn1c(CC)cn(Cc2ccc(F)c(F)c2)c1=O.Cc1ccc(O)cc1
InChIInChI=1S/C15H18F2N2O.C7H8O/c1-3-7-19-12(4-2)10-18(15(19)20)9-11-5-6-13(16)14(17)8-11;1-6-2-4-7(8)5-3-6/h5-6,8,10H,3-4,7,9H2,1-2H3;2-5,8H,1H3
InChIKeySURLZVGHQYHKJF-UHFFFAOYSA-N
MW388.46 g/mol
LogP4.65
Rot. Bonds5

About 1-[(3,4-difluorophenyl)methyl]-4-ethyl-3-propylimidazol-2-one;4-methylphenol

1-[(3,4-difluorophenyl)methyl]-4-ethyl-3-propylimidazol-2-one;4-methylphenol (PubChem CID 142249785) has the molecular formula C22H26F2N2O2 and a molecular weight of 388.46 g/mol. Its IUPAC name is 1-[(3,4-difluorophenyl)methyl]-4-ethyl-3-propylimidazol-2-one;4-methylphenol.

Molecular Properties

Compound Name1-[(3,4-difluorophenyl)methyl]-4-ethyl-3-propylimidazol-2-one;4-methylphenol
PubChem CID142249785
Molecular FormulaC22H26F2N2O2
Molecular Weight388.46 g/mol
Exact Mass388.20
IUPAC Name1-[(3,4-difluorophenyl)methyl]-4-ethyl-3-propylimidazol-2-one;4-methylphenol
SMILESCCCn1c(CC)cn(Cc2ccc(F)c(F)c2)c1=O.Cc1ccc(O)cc1
InChIInChI=1S/C15H18F2N2O.C7H8O/c1-3-7-19-12(4-2)10-18(15(19)20)9-11-5-6-13(16)14(17)8-11;1-6-2-4-7(8)5-3-6/h5-6,8,10H,3-4,7,9H2,1-2H3;2-5,8H,1H3
InChIKeySURLZVGHQYHKJF-UHFFFAOYSA-N
XLogP4.65
TPSA47.16 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.46
LogP ≤ 54.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 1-[(3,4-difluorophenyl)methyl]-4-ethyl-3-propylimidazol-2-one;4-methylphenol 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 1-[(3,4-difluorophenyl)methyl]-4-ethyl-3-propylimidazol-2-one;4-methylphenol?
The IUPAC name of 1-[(3,4-difluorophenyl)methyl]-4-ethyl-3-propylimidazol-2-one;4-methylphenol (CID 142249785) is 1-[(3,4-difluorophenyl)methyl]-4-ethyl-3-propylimidazol-2-one;4-methylphenol.
What is the SMILES notation for 1-[(3,4-difluorophenyl)methyl]-4-ethyl-3-propylimidazol-2-one;4-methylphenol?
The canonical SMILES for 1-[(3,4-difluorophenyl)methyl]-4-ethyl-3-propylimidazol-2-one;4-methylphenol is CCCn1c(CC)cn(Cc2ccc(F)c(F)c2)c1=O.Cc1ccc(O)cc1.
What is the InChIKey of 1-[(3,4-difluorophenyl)methyl]-4-ethyl-3-propylimidazol-2-one;4-methylphenol?
The InChIKey is SURLZVGHQYHKJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O.C7H8O/c1-3-7-19-12(4-2)10-18(15(19)20)9-11-5-6-13(16)14(17)8-11;1-6-2-4-7(8)5-3-6/h5-6,8,10H,3-4,7,9H2,1-2H3;2-5,8H,1H3.
What are the key properties of 1-[(3,4-difluorophenyl)methyl]-4-ethyl-3-propylimidazol-2-one;4-methylphenol?
1-[(3,4-difluorophenyl)methyl]-4-ethyl-3-propylimidazol-2-one;4-methylphenol has a molecular weight of 388.46 g/mol, XLogP of 4.65, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3,4-difluorophenyl)methyl]-4-ethyl-3-propylimidazol-2-one;4-methylphenol is sourced from PubChem (CID 142249785), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).