2-[2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide

C24H22N4O4 — CID 3165115

IUPAC2-[2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)N(c3ccccc3)C(=O)N2Cc2cccnc2)cc1
InChIInChI=1S/C24H22N4O4/c1-32-20-11-9-18(10-12-20)26-22(29)14-21-23(30)28(19-7-3-2-4-8-19)24(31)27(21)16-17-6-5-13-25-15-17/h2-13,15,21H,14,16H2,1H3,(H,26,29)
InChIKeyQMMCMDUIJUSNCN-UHFFFAOYSA-N
MW430.46 g/mol
LogP3.46
Rot. Bonds7

About 2-[2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide

2-[2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide (PubChem CID 3165115) has the molecular formula C24H22N4O4 and a molecular weight of 430.46 g/mol. Its IUPAC name is 2-[2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide.

Molecular Properties

Compound Name2-[2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
PubChem CID3165115
Molecular FormulaC24H22N4O4
Molecular Weight430.46 g/mol
Exact Mass430.16
IUPAC Name2-[2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
SMILESCOc1ccc(NC(=O)CC2C(=O)N(c3ccccc3)C(=O)N2Cc2cccnc2)cc1
InChIInChI=1S/C24H22N4O4/c1-32-20-11-9-18(10-12-20)26-22(29)14-21-23(30)28(19-7-3-2-4-8-19)24(31)27(21)16-17-6-5-13-25-15-17/h2-13,15,21H,14,16H2,1H3,(H,26,29)
InChIKeyQMMCMDUIJUSNCN-UHFFFAOYSA-N
XLogP3.46
TPSA91.84 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.46
LogP ≤ 53.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N'-[1-(4-methoxyphenyl)-2,5-dioxopyrrolidin-3-yl]pyridine-3-carbohydrazide
CID 5219821
2-[1-(4-chlorophenyl)-5-oxo-3-(2-pyridin-4-ylethyl)-2-sulfanylideneimidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide
CID 2936934
1-(4-Methoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 3802701
1-(6-Methoxy-2-oxo-1,2-dihydro-quinolin-3-ylmethyl)-3-phenyl-1-pyridin-3-ylmethyl-urea
CID 646408
1-Methyl-1-(1-methyl-2-pyridin-4-yl-ethyl)-3-(4-phenoxy-phenyl)-urea
CID 10915401
1-(4-ethoxyphenyl)-5-oxo-N-(pyridin-2-ylmethyl)pyrrolidine-3-carboxamide
CID 6494486
3-[(4-Methoxyphenyl)amino]-2-pyridin-3-ylisoindolin-1-one
CID 16194375
1-(4-Methoxyphenyl)-3-({2-[(5-nitropyridin-2-yl)amino]ethyl}amino)pyrrolidine-2,5-dione
CID 2885008
N-[1-(4-methoxyphenyl)-2,5-dioxo-4-(trifluoromethyl)imidazolidin-4-yl]pyridine-4-carboxamide
CID 2962313
2-{1-(4-chlorophenyl)-5-oxo-3-[2-(pyridin-2-yl)ethyl]-2-thioxoimidazolidin-4-yl}-N-(4-methoxyphenyl)acetamide
CID 3801644
2-[(chloroacetyl)(4-methoxyphenyl)amino]-N-cyclohexyl-2-pyridin-3-ylacetamide
CID 4381126
1-(4-Phenoxyphenyl)-3-(pyridin-3-ylmethyl)urea
CID 52358357

Frequently Asked Questions

What is the IUPAC name of 2-[2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?
The IUPAC name of 2-[2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide (CID 3165115) is 2-[2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide.
What is the SMILES notation for 2-[2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?
The canonical SMILES for 2-[2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide is COc1ccc(NC(=O)CC2C(=O)N(c3ccccc3)C(=O)N2Cc2cccnc2)cc1.
What is the InChIKey of 2-[2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?
The InChIKey is QMMCMDUIJUSNCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N4O4/c1-32-20-11-9-18(10-12-20)26-22(29)14-21-23(30)28(19-7-3-2-4-8-19)24(31)27(21)16-17-6-5-13-25-15-17/h2-13,15,21H,14,16H2,1H3,(H,26,29).
What are the key properties of 2-[2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide?
2-[2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide has a molecular weight of 430.46 g/mol, XLogP of 3.46, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-methoxyphenyl)acetamide is sourced from PubChem (CID 3165115), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).