2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide

C20H17N5O4 — CID 55418161

IUPAC2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide
SMILESCC1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)NC(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C20H17N5O4/c1-20(14-9-7-13(11-21)8-10-14)17(27)25(19(29)24-20)12-16(26)23-18(28)22-15-5-3-2-4-6-15/h2-10H,12H2,1H3,(H,24,29)(H2,22,23,26,28)
InChIKeyBUPWRSNDODLDTI-UHFFFAOYSA-N
MW391.39 g/mol
LogP1.67
Rot. Bonds4

About 2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide

2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide (PubChem CID 55418161) has the molecular formula C20H17N5O4 and a molecular weight of 391.39 g/mol. Its IUPAC name is 2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide.

Molecular Properties

Compound Name2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide
PubChem CID55418161
Molecular FormulaC20H17N5O4
Molecular Weight391.39 g/mol
Exact Mass391.13
IUPAC Name2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide
SMILESCC1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)NC(=O)Nc2ccccc2)C1=O
InChIInChI=1S/C20H17N5O4/c1-20(14-9-7-13(11-21)8-10-14)17(27)25(19(29)24-20)12-16(26)23-18(28)22-15-5-3-2-4-6-15/h2-10H,12H2,1H3,(H,24,29)(H2,22,23,26,28)
InChIKeyBUPWRSNDODLDTI-UHFFFAOYSA-N
XLogP1.67
TPSA131.40 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.39
LogP ≤ 51.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

2-[4-(4-methoxyphenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide
CID 55419227
N-(4-acetamidophenyl)-2-[(4S)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 40812694
N-benzyl-2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51138694
4-[(4S)-4-methyl-2,5-dioxo-1-phenacylimidazolidin-4-yl]benzonitrile
CID 93253019
N-(4-cyanophenyl)-2-[4-methyl-2,5-dioxo-4-(4-propan-2-ylphenyl)imidazolidin-1-yl]acetamide
CID 112788599
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethyl)phenyl]acetamide
CID 18272609
N-[4-(2-chlorophenoxy)phenyl]-2-[(4R)-4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]acetamide
CID 51728735
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[4-(trifluoromethoxy)phenyl]acetamide
CID 18279030
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(2,3-dimethylphenyl)acetamide
CID 18278725
2-[(4S)-4-[4-(difluoromethoxy)phenyl]-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-phenylacetamide
CID 2108493
4-[4-methyl-1-[2-(2-methylphenyl)-2-oxoethyl]-2,5-dioxoimidazolidin-4-yl]benzonitrile
CID 47056816
2-[(4S)-4-(4-chlorophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(4-methoxyphenyl)carbamoyl]acetamide
CID 40842811

Frequently Asked Questions

What is the IUPAC name of 2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide?
The IUPAC name of 2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide (CID 55418161) is 2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide.
What is the SMILES notation for 2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide?
The canonical SMILES for 2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide is CC1(c2ccc(C#N)cc2)NC(=O)N(CC(=O)NC(=O)Nc2ccccc2)C1=O.
What is the InChIKey of 2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide?
The InChIKey is BUPWRSNDODLDTI-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N5O4/c1-20(14-9-7-13(11-21)8-10-14)17(27)25(19(29)24-20)12-16(26)23-18(28)22-15-5-3-2-4-6-15/h2-10H,12H2,1H3,(H,24,29)(H2,22,23,26,28).
What are the key properties of 2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide?
2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide has a molecular weight of 391.39 g/mol, XLogP of 1.67, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(4-cyanophenyl)-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-(phenylcarbamoyl)acetamide is sourced from PubChem (CID 55418161), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).