3-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide

C19H22N4O4 — CID 91823348

IUPAC3-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide
SMILESCOc1ccc(N2C(=O)NC(CCC(=O)NCc3cccn3C)C2=O)cc1
InChIInChI=1S/C19H22N4O4/c1-22-11-3-4-14(22)12-20-17(24)10-9-16-18(25)23(19(26)21-16)13-5-7-15(27-2)8-6-13/h3-8,11,16H,9-10,12H2,1-2H3,(H,20,24)(H,21,26)
InChIKeySVMXTTUDALIQED-UHFFFAOYSA-N
MW370.41 g/mol
LogP1.56
Rot. Bonds7

About 3-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide

3-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide (PubChem CID 91823348) has the molecular formula C19H22N4O4 and a molecular weight of 370.41 g/mol. Its IUPAC name is 3-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide.

Molecular Properties

Compound Name3-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide
PubChem CID91823348
Molecular FormulaC19H22N4O4
Molecular Weight370.41 g/mol
Exact Mass370.16
IUPAC Name3-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide
SMILESCOc1ccc(N2C(=O)NC(CCC(=O)NCc3cccn3C)C2=O)cc1
InChIInChI=1S/C19H22N4O4/c1-22-11-3-4-14(22)12-20-17(24)10-9-16-18(25)23(19(26)21-16)13-5-7-15(27-2)8-6-13/h3-8,11,16H,9-10,12H2,1-2H3,(H,20,24)(H,21,26)
InChIKeySVMXTTUDALIQED-UHFFFAOYSA-N
XLogP1.56
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 51.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide
CID 124849525
3-[1-(4-fluorophenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-methoxyphenyl)ethyl]propanamide
CID 42962374
3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(2-oxopyrrolidin-1-yl)ethyl]propanamide
CID 110204751
3-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide
CID 124861231
N-[[(3S)-2,3-dihydro-1,4-benzodioxin-3-yl]methyl]-3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]propanamide
CID 124877556
3-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[1-(4-methoxyphenyl)-2-methylpropyl]propanamide
CID 110205352
methyl 2-[3-(2,5-dioxo-1-phenylimidazolidin-4-yl)propanoylamino]acetate
CID 91822490
2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-2-ylmethyl)acetamide
CID 91821591
methyl 2-[3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]propanoylamino]acetate
CID 126418668
N-(3,3-diphenylpropyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91823488
methyl 3-[(4R)-2,5-dioxo-1-phenylimidazolidin-4-yl]propanoate
CID 164674956
N-(1H-benzimidazol-2-ylmethyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91823091

Frequently Asked Questions

What is the IUPAC name of 3-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide?
The IUPAC name of 3-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide (CID 91823348) is 3-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide.
What is the SMILES notation for 3-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide?
The canonical SMILES for 3-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide is COc1ccc(N2C(=O)NC(CCC(=O)NCc3cccn3C)C2=O)cc1.
What is the InChIKey of 3-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide?
The InChIKey is SVMXTTUDALIQED-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O4/c1-22-11-3-4-14(22)12-20-17(24)10-9-16-18(25)23(19(26)21-16)13-5-7-15(27-2)8-6-13/h3-8,11,16H,9-10,12H2,1-2H3,(H,20,24)(H,21,26).
What are the key properties of 3-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide?
3-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide has a molecular weight of 370.41 g/mol, XLogP of 1.56, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylpyrrol-2-yl)methyl]propanamide is sourced from PubChem (CID 91823348), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).