3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide

C18H21N5O4 — CID 124849525

IUPAC3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide
SMILESCOc1ccc(N2C(=O)N[C@H](CCC(=O)NCCn3cccn3)C2=O)cc1
InChIInChI=1S/C18H21N5O4/c1-27-14-5-3-13(4-6-14)23-17(25)15(21-18(23)26)7-8-16(24)19-10-12-22-11-2-9-20-22/h2-6,9,11,15H,7-8,10,12H2,1H3,(H,19,24)(H,21,26)/t15-/m1/s1
InChIKeyOURSNOBNCREMFW-OAHLLOKOSA-N
MW371.40 g/mol
LogP0.91
Rot. Bonds8

About 3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide

3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide (PubChem CID 124849525) has the molecular formula C18H21N5O4 and a molecular weight of 371.40 g/mol. Its IUPAC name is 3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide.

Molecular Properties

Compound Name3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide
PubChem CID124849525
Molecular FormulaC18H21N5O4
Molecular Weight371.40 g/mol
Exact Mass371.16
IUPAC Name3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide
SMILESCOc1ccc(N2C(=O)N[C@H](CCC(=O)NCCn3cccn3)C2=O)cc1
InChIInChI=1S/C18H21N5O4/c1-27-14-5-3-13(4-6-14)23-17(25)15(21-18(23)26)7-8-16(24)19-10-12-22-11-2-9-20-22/h2-6,9,11,15H,7-8,10,12H2,1H3,(H,19,24)(H,21,26)/t15-/m1/s1
InChIKeyOURSNOBNCREMFW-OAHLLOKOSA-N
XLogP0.91
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.40
LogP ≤ 50.91
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide?
The IUPAC name of 3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide (CID 124849525) is 3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide.
What is the SMILES notation for 3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide?
The canonical SMILES for 3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide is COc1ccc(N2C(=O)N[C@H](CCC(=O)NCCn3cccn3)C2=O)cc1.
What is the InChIKey of 3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide?
The InChIKey is OURSNOBNCREMFW-OAHLLOKOSA-N. The full InChI is InChI=1S/C18H21N5O4/c1-27-14-5-3-13(4-6-14)23-17(25)15(21-18(23)26)7-8-16(24)19-10-12-22-11-2-9-20-22/h2-6,9,11,15H,7-8,10,12H2,1H3,(H,19,24)(H,21,26)/t15-/m1/s1.
What are the key properties of 3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide?
3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide has a molecular weight of 371.40 g/mol, XLogP of 0.91, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4R)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-(2-pyrazol-1-ylethyl)propanamide is sourced from PubChem (CID 124849525), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).