3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide

C21H21N3O3 — CID 78903832

IUPAC3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide
SMILESCC1(C2CC2)NC(=O)N(Cc2cccc(C(=O)Nc3ccccc3)c2)C1=O
InChIInChI=1S/C21H21N3O3/c1-21(16-10-11-16)19(26)24(20(27)23-21)13-14-6-5-7-15(12-14)18(25)22-17-8-3-2-4-9-17/h2-9,12,16H,10-11,13H2,1H3,(H,22,25)(H,23,27)
InChIKeyQROMWVSSVGHJMC-UHFFFAOYSA-N
MW363.42 g/mol
LogP3.16
Rot. Bonds5

About 3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide

3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide (PubChem CID 78903832) has the molecular formula C21H21N3O3 and a molecular weight of 363.42 g/mol. Its IUPAC name is 3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide.

Molecular Properties

Compound Name3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide
PubChem CID78903832
Molecular FormulaC21H21N3O3
Molecular Weight363.42 g/mol
Exact Mass363.16
IUPAC Name3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide
SMILESCC1(C2CC2)NC(=O)N(Cc2cccc(C(=O)Nc3ccccc3)c2)C1=O
InChIInChI=1S/C21H21N3O3/c1-21(16-10-11-16)19(26)24(20(27)23-21)13-14-6-5-7-15(12-14)18(25)22-17-8-3-2-4-9-17/h2-9,12,16H,10-11,13H2,1H3,(H,22,25)(H,23,27)
InChIKeyQROMWVSSVGHJMC-UHFFFAOYSA-N
XLogP3.16
TPSA78.51 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 53.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

3-[[4-[2-(4-methoxyphenyl)ethyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylbenzamide
CID 55857736
1-[[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]-N-phenylpiperidin-1-ium-4-carboxamide
CID 9325781
methyl 3-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]benzoate
CID 16557283
N-[4-[[2-[(4R)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]acetyl]amino]-2,5-dimethoxyphenyl]benzamide
CID 41208294
(2R)-2-[[2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)acetyl]amino]-3-phenylpropanoic acid
CID 119366870
3-[(4-methyl-2,5-dioxo-4-phenylimidazolidin-1-yl)methyl]benzamide
CID 55631679
N-benzyl-2-(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)-N-phenylacetamide
CID 78790776
3-[[(3S,4R)-3-hydroxy-4-methylpyrrolidin-1-yl]methyl]-N-phenylbenzamide
CID 146143912
5-cyclobutyl-5-methyl-3-phenacylimidazolidine-2,4-dione
CID 90358668
3-[(4-benzoylpiperidin-1-yl)methyl]-N-phenylbenzamide
CID 60523650
3-[[(4R)-4-cyclohexyl-4-methyl-2,5-dioxoimidazolidin-1-yl]methyl]benzonitrile
CID 7618742
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(3-methylsulfanylphenyl)acetamide
CID 41089149

Frequently Asked Questions

What is the IUPAC name of 3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide?
The IUPAC name of 3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide (CID 78903832) is 3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide.
What is the SMILES notation for 3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide?
The canonical SMILES for 3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide is CC1(C2CC2)NC(=O)N(Cc2cccc(C(=O)Nc3ccccc3)c2)C1=O.
What is the InChIKey of 3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide?
The InChIKey is QROMWVSSVGHJMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H21N3O3/c1-21(16-10-11-16)19(26)24(20(27)23-21)13-14-6-5-7-15(12-14)18(25)22-17-8-3-2-4-9-17/h2-9,12,16H,10-11,13H2,1H3,(H,22,25)(H,23,27).
What are the key properties of 3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide?
3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide has a molecular weight of 363.42 g/mol, XLogP of 3.16, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl)methyl]-N-phenylbenzamide is sourced from PubChem (CID 78903832), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).