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

C11H12F2N2O — CID 59884194

IUPAC(5S)-5-[(3,5-difluorophenyl)methyl]-3-methylimidazolidin-4-one
SMILESCN1CN[C@@H](Cc2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C11H12F2N2O/c1-15-6-14-10(11(15)16)4-7-2-8(12)5-9(13)3-7/h2-3,5,10,14H,4,6H2,1H3/t10-/m0/s1
InChIKeyBIHUKBYSSUPHJR-JTQLQIEISA-N
MW226.23 g/mol
LogP0.89
Rot. Bonds2

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

(5S)-5-[(3,5-difluorophenyl)methyl]-3-methylimidazolidin-4-one (PubChem CID 59884194) has the molecular formula C11H12F2N2O and a molecular weight of 226.23 g/mol. Its IUPAC name is (5S)-5-[(3,5-difluorophenyl)methyl]-3-methylimidazolidin-4-one.

Molecular Properties

Compound Name(5S)-5-[(3,5-difluorophenyl)methyl]-3-methylimidazolidin-4-one
PubChem CID59884194
Molecular FormulaC11H12F2N2O
Molecular Weight226.23 g/mol
Exact Mass226.09
IUPAC Name(5S)-5-[(3,5-difluorophenyl)methyl]-3-methylimidazolidin-4-one
SMILESCN1CN[C@@H](Cc2cc(F)cc(F)c2)C1=O
InChIInChI=1S/C11H12F2N2O/c1-15-6-14-10(11(15)16)4-7-2-8(12)5-9(13)3-7/h2-3,5,10,14H,4,6H2,1H3/t10-/m0/s1
InChIKeyBIHUKBYSSUPHJR-JTQLQIEISA-N
XLogP0.89
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.23
LogP ≤ 50.89
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze (5S)-5-[(3,5-difluorophenyl)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

actinium;(5S)-5-[(4-hydroxyphenyl)methyl]-3-methylimidazolidin-4-one
CID 59883958
(5S)-3-methyl-5-(naphthalen-2-ylmethyl)imidazolidin-4-one
CID 59884171
(5S)-5-[(4-methoxyphenyl)methyl]-3-methylimidazolidin-4-one
CID 59883960
(5S)-5-[[4-(4-hydroxy-3,5-diiodophenoxy)-3,5-diiodophenyl]methyl]-3-methylimidazolidin-4-one
CID 59884082
3-[(3,5-dimethylphenyl)methyl]-1-methylpiperazin-2-one
CID 116817295
3-methyl-5-(2-phenylethyl)imidazolidin-4-one
CID 18720114
4-[(3,5-difluorophenyl)methyl]-1-methylpiperidine
CID 155020969
4-[(3,5-difluorophenyl)methyl]-N-ethylpiperidine-2-carboxamide
CID 106781871
(5S)-3,5-dimethylimidazolidin-4-one
CID 12794136
4-[(3,5-difluorophenyl)methyl]piperidine;hydrochloride
CID 86007003
(3S)-1-methyl-3-[(4-phenylphenyl)methyl]piperazin-2-one
CID 95813127
3-[(3,5-difluorophenyl)methyl]piperidin-4-one
CID 105404516

Frequently Asked Questions

What is the IUPAC name of (5S)-5-[(3,5-difluorophenyl)methyl]-3-methylimidazolidin-4-one?
The IUPAC name of (5S)-5-[(3,5-difluorophenyl)methyl]-3-methylimidazolidin-4-one (CID 59884194) is (5S)-5-[(3,5-difluorophenyl)methyl]-3-methylimidazolidin-4-one.
What is the SMILES notation for (5S)-5-[(3,5-difluorophenyl)methyl]-3-methylimidazolidin-4-one?
The canonical SMILES for (5S)-5-[(3,5-difluorophenyl)methyl]-3-methylimidazolidin-4-one is CN1CN[C@@H](Cc2cc(F)cc(F)c2)C1=O.
What is the InChIKey of (5S)-5-[(3,5-difluorophenyl)methyl]-3-methylimidazolidin-4-one?
The InChIKey is BIHUKBYSSUPHJR-JTQLQIEISA-N. The full InChI is InChI=1S/C11H12F2N2O/c1-15-6-14-10(11(15)16)4-7-2-8(12)5-9(13)3-7/h2-3,5,10,14H,4,6H2,1H3/t10-/m0/s1.
What are the key properties of (5S)-5-[(3,5-difluorophenyl)methyl]-3-methylimidazolidin-4-one?
(5S)-5-[(3,5-difluorophenyl)methyl]-3-methylimidazolidin-4-one has a molecular weight of 226.23 g/mol, XLogP of 0.89, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-5-[(3,5-difluorophenyl)methyl]-3-methylimidazolidin-4-one is sourced from PubChem (CID 59884194), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).