2-(3,4-difluorophenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidin-4-one

C15H18F2N2O2 — CID 83245722

IUPAC2-(3,4-difluorophenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidin-4-one
SMILESCC1NC(c2ccc(F)c(F)c2)N(CC2CCCO2)C1=O
InChIInChI=1S/C15H18F2N2O2/c1-9-15(20)19(8-11-3-2-6-21-11)14(18-9)10-4-5-12(16)13(17)7-10/h4-5,7,9,11,14,18H,2-3,6,8H2,1H3
InChIKeyKJGGENZJBSMWEQ-UHFFFAOYSA-N
MW296.32 g/mol
LogP1.96
Rot. Bonds3

About 2-(3,4-difluorophenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidin-4-one

2-(3,4-difluorophenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidin-4-one (PubChem CID 83245722) has the molecular formula C15H18F2N2O2 and a molecular weight of 296.32 g/mol. Its IUPAC name is 2-(3,4-difluorophenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidin-4-one.

Molecular Properties

Compound Name2-(3,4-difluorophenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidin-4-one
PubChem CID83245722
Molecular FormulaC15H18F2N2O2
Molecular Weight296.32 g/mol
Exact Mass296.13
IUPAC Name2-(3,4-difluorophenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidin-4-one
SMILESCC1NC(c2ccc(F)c(F)c2)N(CC2CCCO2)C1=O
InChIInChI=1S/C15H18F2N2O2/c1-9-15(20)19(8-11-3-2-6-21-11)14(18-9)10-4-5-12(16)13(17)7-10/h4-5,7,9,11,14,18H,2-3,6,8H2,1H3
InChIKeyKJGGENZJBSMWEQ-UHFFFAOYSA-N
XLogP1.96
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.32
LogP ≤ 51.96
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-(2-cyclopropylethyl)-2-(3,4-difluorophenyl)-5-methylimidazolidin-4-one
CID 83259017
5-ethyl-2-(3-fluorophenyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one
CID 83245733
2-(3,4-difluorophenyl)-3-[2-(dimethylamino)ethyl]-5-methylimidazolidin-4-one
CID 83250579
2-(3,4-difluorophenyl)-3-(3-ethoxypropyl)-5-methylimidazolidin-4-one
CID 83233543
2,5-dimethyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83255693
2-(4-chlorophenyl)-3-(cyclopentylmethyl)-5-methylimidazolidin-4-one
CID 83244083
(2R)-2-(3-fluoro-4-methoxyphenyl)-3-[[(2S)-oxolan-2-yl]methyl]-1,2-dihydroquinazolin-4-one
CID 41038506
2-(3,4-difluorophenyl)-3-[2-[ethyl(methyl)amino]ethyl]-5-methylimidazolidin-4-one
CID 83253778
2-cyclopentyl-5-methyl-3-(oxan-2-ylmethyl)imidazolidin-4-one
CID 83256823
5-methyl-2-(2-methylpropyl)-3-(oxolan-2-ylmethyl)imidazolidin-4-one
CID 83251471
3-(1,4-dioxan-2-ylmethyl)-5-methyl-2-phenylimidazolidin-4-one
CID 83256047
3-(cyclopentylmethyl)-5-methyl-2-(4-methylphenyl)imidazolidin-4-one
CID 83243594

Frequently Asked Questions

What is the IUPAC name of 2-(3,4-difluorophenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidin-4-one?
The IUPAC name of 2-(3,4-difluorophenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidin-4-one (CID 83245722) is 2-(3,4-difluorophenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidin-4-one.
What is the SMILES notation for 2-(3,4-difluorophenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidin-4-one?
The canonical SMILES for 2-(3,4-difluorophenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidin-4-one is CC1NC(c2ccc(F)c(F)c2)N(CC2CCCO2)C1=O.
What is the InChIKey of 2-(3,4-difluorophenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidin-4-one?
The InChIKey is KJGGENZJBSMWEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18F2N2O2/c1-9-15(20)19(8-11-3-2-6-21-11)14(18-9)10-4-5-12(16)13(17)7-10/h4-5,7,9,11,14,18H,2-3,6,8H2,1H3.
What are the key properties of 2-(3,4-difluorophenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidin-4-one?
2-(3,4-difluorophenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidin-4-one has a molecular weight of 296.32 g/mol, XLogP of 1.96, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,4-difluorophenyl)-5-methyl-3-(oxolan-2-ylmethyl)imidazolidin-4-one is sourced from PubChem (CID 83245722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).