2-benzyl-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one

C19H18N2O2 — CID 135427136

IUPAC2-benzyl-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one
SMILESC/C(=N\c1ccccc1)C1=C(O)C(Cc2ccccc2)NC1=O
InChIInChI=1S/C19H18N2O2/c1-13(20-15-10-6-3-7-11-15)17-18(22)16(21-19(17)23)12-14-8-4-2-5-9-14/h2-11,16,22H,12H2,1H3,(H,21,23)/b20-13+
InChIKeyIHXKJZIDPGITHW-DEDYPNTBSA-N
MW306.37 g/mol
LogP3.33
Rot. Bonds4

About 2-benzyl-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one

2-benzyl-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one (PubChem CID 135427136) has the molecular formula C19H18N2O2 and a molecular weight of 306.37 g/mol. Its IUPAC name is 2-benzyl-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one.

Molecular Properties

Compound Name2-benzyl-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one
PubChem CID135427136
Molecular FormulaC19H18N2O2
Molecular Weight306.37 g/mol
Exact Mass306.14
IUPAC Name2-benzyl-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one
SMILESC/C(=N\c1ccccc1)C1=C(O)C(Cc2ccccc2)NC1=O
InChIInChI=1S/C19H18N2O2/c1-13(20-15-10-6-3-7-11-15)17-18(22)16(21-19(17)23)12-14-8-4-2-5-9-14/h2-11,16,22H,12H2,1H3,(H,21,23)/b20-13+
InChIKeyIHXKJZIDPGITHW-DEDYPNTBSA-N
XLogP3.33
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.37
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}

Analyze 2-benzyl-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-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

3-hydroxy-2-[(4-hydroxyphenyl)methyl]-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one
CID 135500557
(2R)-2-[(4-fluorophenyl)methyl]-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one
CID 136734365
(2S)-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-2-(2-methylpropyl)-1,2-dihydropyrrol-5-one
CID 136846996
(2R)-2-benzyl-4-[(2R)-2-benzyl-5-oxo-1,2-dihydropyrrol-3-yl]-3-hydroxy-1,2-dihydropyrrol-5-one
CID 54727855
6-benzylpiperazine-2,3,5-trione
CID 14446168
(3R,6S)-3-benzyl-6-[(4-hydroxyphenyl)methyl]piperazine-2,5-dione
CID 15024343
3-benzyl-5-hydroxy-2,3-dihydroisoindol-1-one
CID 71003969
4-acetyl-3-hydroxy-2-(sulfanylmethyl)-1,2-dihydropyrrol-5-one
CID 54709936
(3S,6S)-3-benzyl-6-(hydroxymethyl)piperazine-2,5-dione
CID 6951076
4-hydroxy-2-methyl-5-(C-methyl-N-phenylcarbonimidoyl)-2,3-dihydropyran-6-one
CID 135604523
2-[(2R,5S)-5-benzyl-3,6-dioxopiperazin-2-yl]acetate
CID 6950802
5-benzyl-3-[4-(N-hydroxy-C-methylcarbonimidoyl)phenyl]imidazolidine-2,4-dione
CID 152763908

Frequently Asked Questions

What is the IUPAC name of 2-benzyl-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one?
The IUPAC name of 2-benzyl-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one (CID 135427136) is 2-benzyl-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one.
What is the SMILES notation for 2-benzyl-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one?
The canonical SMILES for 2-benzyl-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one is C/C(=N\c1ccccc1)C1=C(O)C(Cc2ccccc2)NC1=O.
What is the InChIKey of 2-benzyl-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one?
The InChIKey is IHXKJZIDPGITHW-DEDYPNTBSA-N. The full InChI is InChI=1S/C19H18N2O2/c1-13(20-15-10-6-3-7-11-15)17-18(22)16(21-19(17)23)12-14-8-4-2-5-9-14/h2-11,16,22H,12H2,1H3,(H,21,23)/b20-13+.
What are the key properties of 2-benzyl-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one?
2-benzyl-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one has a molecular weight of 306.37 g/mol, XLogP of 3.33, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-3-hydroxy-4-(C-methyl-N-phenylcarbonimidoyl)-1,2-dihydropyrrol-5-one is sourced from PubChem (CID 135427136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).