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

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-3-propylimidazol-2-one
CID 116624666
3,4-diethyl-1-[(4-methylphenyl)methyl]imidazol-2-one;2,2-dimethylpropanoic acid;ethane;1-ethyl-4-methylbenzene;propane
CID 142249810
4-[4-[4-(3-hydroxy-2-methylbut-3-en-2-yl)oxyphenyl]butyl]-1-[(4-methylphenyl)methyl]-3-propylimidazol-2-one
CID 89293679
1-[(3,4-difluorophenyl)methyl]-5-[4-(methoxymethyl)phenyl]pyridin-2-one
CID 69443479
1-(3,4-difluorophenyl)-3-(4-methylphenyl)propan-2-one
CID 82920094
1-[(3,4-difluorophenyl)methyl]-3-ethylbenzimidazol-2-one
CID 115576479
6,7-difluoro-1-[(4-methylphenyl)methyl]-4-oxoquinoline-3-carboxylic acid
CID 56771935
1-[(3,4-difluorophenyl)methyl]-2-propylbenzimidazole
CID 115571780
3-[(4-chloro-2-fluorophenyl)methyl]-5-iodo-1-propylpyrimidine-2,4-dione
CID 114862486
1-[[4-[4-fluoro-3-(piperidin-1-ylmethyl)phenyl]phenyl]methyl]-4-hydroxy-3-(2-methylpropyl)imidazol-2-one
CID 91332876
ethyl 1-[(3,4-difluorophenyl)methyl]pyrrole-2-carboxylate
CID 105422073
1-[(4-hydroxy-3-methylphenyl)methyl]-3,5-bis[(4-hydroxyphenyl)methyl]-1,3,5-triazinane-2,4,6-trione
CID 118029923

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).