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

C20H18N4O3 — CID 46655208

IUPAC3-cyano-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
SMILESCC1(CCc2ccccc2)NC(=O)N(NC(=O)c2cccc(C#N)c2)C1=O
InChIInChI=1S/C20H18N4O3/c1-20(11-10-14-6-3-2-4-7-14)18(26)24(19(27)22-20)23-17(25)16-9-5-8-15(12-16)13-21/h2-9,12H,10-11H2,1H3,(H,22,27)(H,23,25)
InChIKeyXGEVHSLXAALBHZ-UHFFFAOYSA-N
MW362.39 g/mol
LogP2.15
Rot. Bonds5

About 3-cyano-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide

3-cyano-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide (PubChem CID 46655208) has the molecular formula C20H18N4O3 and a molecular weight of 362.39 g/mol. Its IUPAC name is 3-cyano-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide.

Molecular Properties

Compound Name3-cyano-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
PubChem CID46655208
Molecular FormulaC20H18N4O3
Molecular Weight362.39 g/mol
Exact Mass362.14
IUPAC Name3-cyano-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
SMILESCC1(CCc2ccccc2)NC(=O)N(NC(=O)c2cccc(C#N)c2)C1=O
InChIInChI=1S/C20H18N4O3/c1-20(11-10-14-6-3-2-4-7-14)18(26)24(19(27)22-20)23-17(25)16-9-5-8-15(12-16)13-21/h2-9,12H,10-11H2,1H3,(H,22,27)(H,23,25)
InChIKeyXGEVHSLXAALBHZ-UHFFFAOYSA-N
XLogP2.15
TPSA102.30 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.39
LogP ≤ 52.15
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

N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 31435198
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-pyrrol-1-ylbenzamide
CID 40972041
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-methylsulfonylbenzamide
CID 42920186
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]pyridine-4-carboxamide
CID 31434970
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2,3-dihydro-1H-indene-5-carboxamide
CID 31435973
N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-4-pyrrol-1-ylbenzamide
CID 9266876
N-[3-[[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]carbamoyl]phenyl]pyridine-3-carboxamide
CID 46411069
2,3-dimethyl-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-1H-indole-5-carboxamide
CID 31341167
N-[(4S)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-2,3-dihydro-1-benzofuran-5-carboxamide
CID 51935433
4-(ethylsulfamoyl)-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide
CID 55440908
N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]butanamide
CID 136513403
4-methyl-N-[(4R)-4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]-3-piperidin-1-ylsulfonylbenzamide
CID 41209789

Frequently Asked Questions

What is the IUPAC name of 3-cyano-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide?
The IUPAC name of 3-cyano-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide (CID 46655208) is 3-cyano-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide.
What is the SMILES notation for 3-cyano-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide?
The canonical SMILES for 3-cyano-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide is CC1(CCc2ccccc2)NC(=O)N(NC(=O)c2cccc(C#N)c2)C1=O.
What is the InChIKey of 3-cyano-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide?
The InChIKey is XGEVHSLXAALBHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18N4O3/c1-20(11-10-14-6-3-2-4-7-14)18(26)24(19(27)22-20)23-17(25)16-9-5-8-15(12-16)13-21/h2-9,12H,10-11H2,1H3,(H,22,27)(H,23,25).
What are the key properties of 3-cyano-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide?
3-cyano-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide has a molecular weight of 362.39 g/mol, XLogP of 2.15, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyano-N-[4-methyl-2,5-dioxo-4-(2-phenylethyl)imidazolidin-1-yl]benzamide is sourced from PubChem (CID 46655208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).