3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide

C16H16N4O3 — CID 37193063

IUPAC3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H16N4O3/c21-14(7-9-20-15(22)5-6-16(20)23)18-12-1-3-13(4-2-12)19-10-8-17-11-19/h1-4,8,10-11H,5-7,9H2,(H,18,21)
InChIKeyFHVQFDHKWCDIRA-UHFFFAOYSA-N
MW312.33 g/mol
LogP1.35
Rot. Bonds5

About 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide

3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide (PubChem CID 37193063) has the molecular formula C16H16N4O3 and a molecular weight of 312.33 g/mol. Its IUPAC name is 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide.

Molecular Properties

Compound Name3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide
PubChem CID37193063
Molecular FormulaC16H16N4O3
Molecular Weight312.33 g/mol
Exact Mass312.12
IUPAC Name3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide
SMILESO=C(CCN1C(=O)CCC1=O)Nc1ccc(-n2ccnc2)cc1
InChIInChI=1S/C16H16N4O3/c21-14(7-9-20-15(22)5-6-16(20)23)18-12-1-3-13(4-2-12)19-10-8-17-11-19/h1-4,8,10-11H,5-7,9H2,(H,18,21)
InChIKeyFHVQFDHKWCDIRA-UHFFFAOYSA-N
XLogP1.35
TPSA84.30 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.33
LogP ≤ 51.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-(2,5-dioxopyrrolidin-1-yl)-N-[1-(4-imidazol-1-ylphenyl)ethyl]propanamide
CID 18112952
N-(4-imidazol-1-ylphenyl)-3-pyrazol-1-ylpropanamide
CID 87039583
N-(4-imidazol-1-ylphenyl)-3-(5-methyl-1,3-dioxoisoindol-2-yl)propanamide
CID 37186591
3-(2,5-dioxopyrrolidin-1-yl)-N-[4-(hydroxymethyl)phenyl]propanamide
CID 64793189
N-(4-imidazol-1-ylphenyl)-3-indol-1-ylpropanamide
CID 37193450
N-(4-tert-butylphenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 17466104
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-methylsulfanylphenyl)propanamide
CID 18128156
N-(4-imidazol-1-ylphenyl)acetamide
CID 16761727
2-(4-hydroxyphenyl)-N-(4-imidazol-1-ylphenyl)acetamide
CID 78845003
N-(4-aminophenyl)-3-(2,6-dioxopiperidin-1-yl)propanamide
CID 43447501
N-(4-imidazol-1-ylphenyl)-2-(4-methylphenyl)acetamide
CID 37194021
N-(3,4-difluorophenyl)-3-(2,5-dioxopyrrolidin-1-yl)propanamide
CID 9210364

Frequently Asked Questions

What is the IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide?
The IUPAC name of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide (CID 37193063) is 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide.
What is the SMILES notation for 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide?
The canonical SMILES for 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide is O=C(CCN1C(=O)CCC1=O)Nc1ccc(-n2ccnc2)cc1.
What is the InChIKey of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide?
The InChIKey is FHVQFDHKWCDIRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4O3/c21-14(7-9-20-15(22)5-6-16(20)23)18-12-1-3-13(4-2-12)19-10-8-17-11-19/h1-4,8,10-11H,5-7,9H2,(H,18,21).
What are the key properties of 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide?
3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide has a molecular weight of 312.33 g/mol, XLogP of 1.35, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,5-dioxopyrrolidin-1-yl)-N-(4-imidazol-1-ylphenyl)propanamide is sourced from PubChem (CID 37193063), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).