4-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]-N-phenylbenzamide

C23H20N4O3 — CID 97021801

IUPAC4-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]-N-phenylbenzamide
SMILESC[C@]1(c2ccccn2)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O
InChIInChI=1S/C23H20N4O3/c1-23(19-9-5-6-14-24-19)21(29)27(22(30)26-23)15-16-10-12-17(13-11-16)20(28)25-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,25,28)(H,26,30)/t23-/m1/s1
InChIKeyUHBQHZVPLGBMIH-HSZRJFAPSA-N
MW400.44 g/mol
LogP3.30
Rot. Bonds5

About 4-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]-N-phenylbenzamide

4-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]-N-phenylbenzamide (PubChem CID 97021801) has the molecular formula C23H20N4O3 and a molecular weight of 400.44 g/mol. Its IUPAC name is 4-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name4-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]-N-phenylbenzamide
PubChem CID97021801
Molecular FormulaC23H20N4O3
Molecular Weight400.44 g/mol
Exact Mass400.15
IUPAC Name4-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]-N-phenylbenzamide
SMILESC[C@]1(c2ccccn2)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O
InChIInChI=1S/C23H20N4O3/c1-23(19-9-5-6-14-24-19)21(29)27(22(30)26-23)15-16-10-12-17(13-11-16)20(28)25-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,25,28)(H,26,30)/t23-/m1/s1
InChIKeyUHBQHZVPLGBMIH-HSZRJFAPSA-N
XLogP3.30
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500400.44
LogP ≤ 53.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

4-[[4-methyl-4-(4-methylphenyl)-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 4877614
(5S)-5-methyl-5-pyridin-2-yl-3-[[4-(trifluoromethyl)phenyl]methyl]imidazolidine-2,4-dione
CID 52884048
3-[(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)methyl]benzoic acid
CID 82148005
4-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 17410105
3-(4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl)propanoic acid
CID 82148086
methyl 4-[[(4S)-4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl]methyl]benzoate
CID 7242335
4-[(1,3-dioxoisoindol-2-yl)methyl]-N-phenylbenzamide
CID 2995396
(5R)-3-(3,3-dimethyl-2-oxobutyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95298044
(5S)-3-[(5-chloro-2-pyridinyl)methyl]-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 99637339
4-[[(4Z)-4-benzylidene-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 7897314
(5R)-3-(2-bromoprop-2-enyl)-5-methyl-5-pyridin-2-ylimidazolidine-2,4-dione
CID 95324169
3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide
CID 78903832

Frequently Asked Questions

What is the IUPAC name of 4-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]-N-phenylbenzamide?
The IUPAC name of 4-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]-N-phenylbenzamide (CID 97021801) is 4-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]-N-phenylbenzamide.
What is the SMILES notation for 4-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]-N-phenylbenzamide?
The canonical SMILES for 4-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]-N-phenylbenzamide is C[C@]1(c2ccccn2)NC(=O)N(Cc2ccc(C(=O)Nc3ccccc3)cc2)C1=O.
What is the InChIKey of 4-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]-N-phenylbenzamide?
The InChIKey is UHBQHZVPLGBMIH-HSZRJFAPSA-N. The full InChI is InChI=1S/C23H20N4O3/c1-23(19-9-5-6-14-24-19)21(29)27(22(30)26-23)15-16-10-12-17(13-11-16)20(28)25-18-7-3-2-4-8-18/h2-14H,15H2,1H3,(H,25,28)(H,26,30)/t23-/m1/s1.
What are the key properties of 4-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]-N-phenylbenzamide?
4-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]-N-phenylbenzamide has a molecular weight of 400.44 g/mol, XLogP of 3.30, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[(4R)-4-methyl-2,5-dioxo-4-pyridin-2-ylimidazolidin-1-yl]methyl]-N-phenylbenzamide is sourced from PubChem (CID 97021801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).