(5S)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one

C12H16N2O2 — CID 59883960

IUPAC(5S)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one
SMILESCOc1ccc(C[C@@H]2NCN(C)C2=O)cc1
InChIInChI=1S/C12H16N2O2/c1-14-8-13-11(12(14)15)7-9-3-5-10(16-2)6-4-9/h3-6,11,13H,7-8H2,1-2H3/t11-/m0/s1
InChIKeySAFCCXOKFMADJE-NSHDSACASA-N
MW220.27 g/mol
LogP0.63
Rot. Bonds3

About (5S)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one

(5S)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one (PubChem CID 59883960) has the molecular formula C12H16N2O2 and a molecular weight of 220.27 g/mol. Its IUPAC name is (5S)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one
PubChem CID59883960
Molecular FormulaC12H16N2O2
Molecular Weight220.27 g/mol
Exact Mass220.12
IUPAC Name(5S)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one
SMILESCOc1ccc(C[C@@H]2NCN(C)C2=O)cc1
InChIInChI=1S/C12H16N2O2/c1-14-8-13-11(12(14)15)7-9-3-5-10(16-2)6-4-9/h3-6,11,13H,7-8H2,1-2H3/t11-/m0/s1
InChIKeySAFCCXOKFMADJE-NSHDSACASA-N
XLogP0.63
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.27
LogP ≤ 50.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (5S)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-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

Related Compounds

(5S)-3-methyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one
CID 59884171
(5S)-5-[(3,5-difluorophenyl)methyl]-3-methylimidazolidin-4-one
CID 59884194
(3S)-3-[[3-(4-methoxyphenyl)phenyl]methyl]-1-methylpiperazin-2-one
CID 95813038
3-[(3-methoxyphenyl)methyl]-1-methylpiperazin-2-one
CID 116817312
(5R)-5-benzyl-3-[2-(4-methoxyphenyl)ethyl]imidazolidine-2,4-dione
CID 11674231
5-[(4-fluorophenyl)methyl]-3-(4-methoxyphenyl)imidazolidine-2,4-dione
CID 16660931
4-[(4-methoxyphenyl)methyl]-1,3-thiazolidine-2,5-dione
CID 68809970
3-methyl-5-(2-phenylethyl)imidazolidin-4-one
CID 18720114
1-[(4-methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroisoquinoline;hydrochloride
CID 21332800
5-[(4-hydroxyphenyl)methyl]-3-[(4-methoxyphenyl)methyl]-2-sulfanylideneimidazolidin-4-one
CID 73321398
(3S,8S,8aS)-8-amino-3-[(4-methoxyphenyl)methyl]-2,3,6,7,8,8a-hexahydropyrrolo[1,2-a]pyrazine-1,4-dione
CID 26763183
3-benzyl-4-[(4-methoxyphenyl)methyl]-1-methylpiperazine-2,5-dione
CID 171320911

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one?
The IUPAC name of (5S)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one (CID 59883960) is (5S)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one.
What is the SMILES notation for (5S)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one?
The canonical SMILES for (5S)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one is COc1ccc(C[C@@H]2NCN(C)C2=O)cc1.
What is the InChIKey of (5S)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one?
The InChIKey is SAFCCXOKFMADJE-NSHDSACASA-N. The full InChI is InChI=1S/C12H16N2O2/c1-14-8-13-11(12(14)15)7-9-3-5-10(16-2)6-4-9/h3-6,11,13H,7-8H2,1-2H3/t11-/m0/s1.
What are the key properties of (5S)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one?
(5S)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one has a molecular weight of 220.27 g/mol, XLogP of 0.63, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one is sourced from PubChem (CID 59883960), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).