3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide

C22H22N6O3 — CID 91820890

IUPAC3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
SMILESO=C(CCC1NC(=O)N(CCc2ccccc2)C1=O)Nc1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C22H22N6O3/c29-19(25-17-8-4-7-16(13-17)20-23-14-24-27-20)10-9-18-21(30)28(22(31)26-18)12-11-15-5-2-1-3-6-15/h1-8,13-14,18H,9-12H2,(H,25,29)(H,26,31)(H,23,24,27)
InChIKeyXVAWJHZWWGLLHL-UHFFFAOYSA-N
MW418.46 g/mol
LogP2.35
Rot. Bonds8

About 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide

3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide (PubChem CID 91820890) has the molecular formula C22H22N6O3 and a molecular weight of 418.46 g/mol. Its IUPAC name is 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
PubChem CID91820890
Molecular FormulaC22H22N6O3
Molecular Weight418.46 g/mol
Exact Mass418.18
IUPAC Name3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
SMILESO=C(CCC1NC(=O)N(CCc2ccccc2)C1=O)Nc1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C22H22N6O3/c29-19(25-17-8-4-7-16(13-17)20-23-14-24-27-20)10-9-18-21(30)28(22(31)26-18)12-11-15-5-2-1-3-6-15/h1-8,13-14,18H,9-12H2,(H,25,29)(H,26,31)(H,23,24,27)
InChIKeyXVAWJHZWWGLLHL-UHFFFAOYSA-N
XLogP2.35
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.46
LogP ≤ 52.35
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

3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 91822742
N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide
CID 118985887
3-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide
CID 124862824
3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylpyrazol-3-yl)propanamide
CID 91641278
2-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1-methylimidazole-2-carbonyl)phenyl]acetamide
CID 75490431
methyl 2-[3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanoylamino]-5-methyl-1,3-thiazole-4-carboxylate
CID 91639204
3-[(4S)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]propanamide
CID 91637016
3-[(4S)-1-[2-(3-fluorophenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(6-methoxy-3-pyridinyl)propanamide
CID 91641060
3-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylbenzimidazol-5-yl)propanamide
CID 91640478
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(3-methylbutyl)propanamide
CID 73258555
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide
CID 99871302
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(2-indol-1-ylethyl)propanamide
CID 75357103

Frequently Asked Questions

What is the IUPAC name of 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide (CID 91820890) is 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide is O=C(CCC1NC(=O)N(CCc2ccccc2)C1=O)Nc1cccc(-c2ncn[nH]2)c1.
What is the InChIKey of 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide?
The InChIKey is XVAWJHZWWGLLHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22N6O3/c29-19(25-17-8-4-7-16(13-17)20-23-14-24-27-20)10-9-18-21(30)28(22(31)26-18)12-11-15-5-2-1-3-6-15/h1-8,13-14,18H,9-12H2,(H,25,29)(H,26,31)(H,23,24,27).
What are the key properties of 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide?
3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide has a molecular weight of 418.46 g/mol, XLogP of 2.35, 8 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 91820890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).