2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide

C20H21N3O3 — CID 17402203

IUPAC2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide
SMILESCC1(CCc2ccccc2)NC(=O)N(Cc2ccccc2C(N)=O)C1=O
InChIInChI=1S/C20H21N3O3/c1-20(12-11-14-7-3-2-4-8-14)18(25)23(19(26)22-20)13-15-9-5-6-10-16(15)17(21)24/h2-10H,11-13H2,1H3,(H2,21,24)(H,22,26)
InChIKeyXHWCQMPSMHWKPU-UHFFFAOYSA-N
MW351.41 g/mol
LogP2.23
Rot. Bonds6

About 2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide

2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide (PubChem CID 17402203) has the molecular formula C20H21N3O3 and a molecular weight of 351.41 g/mol. Its IUPAC name is 2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide.

Molecular Properties

Compound Name2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide
PubChem CID17402203
Molecular FormulaC20H21N3O3
Molecular Weight351.41 g/mol
Exact Mass351.16
IUPAC Name2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide
SMILESCC1(CCc2ccccc2)NC(=O)N(Cc2ccccc2C(N)=O)C1=O
InChIInChI=1S/C20H21N3O3/c1-20(12-11-14-7-3-2-4-8-14)18(25)23(19(26)22-20)13-15-9-5-6-10-16(15)17(21)24/h2-10H,11-13H2,1H3,(H2,21,24)(H,22,26)
InChIKeyXHWCQMPSMHWKPU-UHFFFAOYSA-N
XLogP2.23
TPSA92.50 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.41
LogP ≤ 52.23
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

(5S)-3-[(4-fluorophenyl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7170894
(5R)-5-[2-(4-methoxyphenyl)ethyl]-5-methyl-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 8507004
naphthalen-1-ylmethyl 2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetate
CID 8589068
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 7639817
(5R)-5-methyl-3-(2-oxo-2-pyrrolidin-1-ylethyl)-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 7171016
N,N-diethyl-2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]acetamide
CID 7170763
2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2S)-4-phenylbutan-2-yl]acetamide
CID 7639797
2-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 7170822
N-methyl-2-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-N-[(2-methylphenyl)methyl]acetamide
CID 7170950
(5R)-3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 41041203
(5S)-5-methyl-3-[2-oxo-2-(1H-pyrrol-2-yl)ethyl]-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 8892845
(5R)-3-[(6-chloro-7-methyl-2-oxochromen-4-yl)methyl]-5-methyl-5-(2-phenylethyl)imidazolidine-2,4-dione
CID 2113206

Frequently Asked Questions

What is the IUPAC name of 2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide?
The IUPAC name of 2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide (CID 17402203) is 2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide.
What is the SMILES notation for 2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide?
The canonical SMILES for 2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide is CC1(CCc2ccccc2)NC(=O)N(Cc2ccccc2C(N)=O)C1=O.
What is the InChIKey of 2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide?
The InChIKey is XHWCQMPSMHWKPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O3/c1-20(12-11-14-7-3-2-4-8-14)18(25)23(19(26)22-20)13-15-9-5-6-10-16(15)17(21)24/h2-10H,11-13H2,1H3,(H2,21,24)(H,22,26).
What are the key properties of 2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide?
2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide has a molecular weight of 351.41 g/mol, XLogP of 2.23, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]methyl]benzamide is sourced from PubChem (CID 17402203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).