3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide

C21H20N6O3 — CID 91822742

IUPAC3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
SMILESO=C(CCC1NC(=O)N(Cc2ccccc2)C1=O)Nc1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C21H20N6O3/c28-18(24-16-8-4-7-15(11-16)19-22-13-23-26-19)10-9-17-20(29)27(21(30)25-17)12-14-5-2-1-3-6-14/h1-8,11,13,17H,9-10,12H2,(H,24,28)(H,25,30)(H,22,23,26)
InChIKeyYZLNFSLYOALDEP-UHFFFAOYSA-N
MW404.43 g/mol
LogP2.31
Rot. Bonds7

About 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide

3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide (PubChem CID 91822742) has the molecular formula C21H20N6O3 and a molecular weight of 404.43 g/mol. Its IUPAC name is 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
PubChem CID91822742
Molecular FormulaC21H20N6O3
Molecular Weight404.43 g/mol
Exact Mass404.16
IUPAC Name3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
SMILESO=C(CCC1NC(=O)N(Cc2ccccc2)C1=O)Nc1cccc(-c2ncn[nH]2)c1
InChIInChI=1S/C21H20N6O3/c28-18(24-16-8-4-7-15(11-16)19-22-13-23-26-19)10-9-17-20(29)27(21(30)25-17)12-14-5-2-1-3-6-14/h1-8,11,13,17H,9-10,12H2,(H,24,28)(H,25,30)(H,22,23,26)
InChIKeyYZLNFSLYOALDEP-UHFFFAOYSA-N
XLogP2.31
TPSA120.08 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.43
LogP ≤ 52.31
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-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide
CID 91820890
3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-(4-phenoxyphenyl)propanamide
CID 73259731
N-(3-acetamidophenyl)-3-[2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]propanamide
CID 118985887
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-phenylpropanamide
CID 51842365
3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[5-(2-phenylethyl)-1H-1,2,4-triazol-3-yl]propanamide
CID 91821927
N-(5-acetamido-2-methoxyphenyl)-3-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanamide
CID 91638918
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-(2-pyridin-4-ylethyl)propanamide
CID 124863789
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide
CID 124861231
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-(3-hydroxyphenyl)propanamide
CID 51837544
1-(2-phenylacetyl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyrrolidine-2-carboxamide
CID 136525808
ethyl 2-[3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]propanoylamino]-1,3-thiazole-4-carboxylate
CID 124863935
N-[3-(1H-1,2,4-triazol-5-yl)phenyl]pyridine-2-carboxamide
CID 136525639

Frequently Asked Questions

What is the IUPAC name of 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide?
The IUPAC name of 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide (CID 91822742) is 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide.
What is the SMILES notation for 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide?
The canonical SMILES for 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide is O=C(CCC1NC(=O)N(Cc2ccccc2)C1=O)Nc1cccc(-c2ncn[nH]2)c1.
What is the InChIKey of 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide?
The InChIKey is YZLNFSLYOALDEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20N6O3/c28-18(24-16-8-4-7-15(11-16)19-22-13-23-26-19)10-9-17-20(29)27(21(30)25-17)12-14-5-2-1-3-6-14/h1-8,11,13,17H,9-10,12H2,(H,24,28)(H,25,30)(H,22,23,26).
What are the key properties of 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide?
3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide has a molecular weight of 404.43 g/mol, XLogP of 2.31, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[3-(1H-1,2,4-triazol-5-yl)phenyl]propanamide is sourced from PubChem (CID 91822742), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).