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

C25H24N4O3 — CID 92742885

IUPAC2-[(4R)-2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2cccnc2)cc1
InChIInChI=1S/C25H24N4O3/c1-2-18-10-12-20(13-11-18)27-23(30)15-22-24(31)29(21-8-4-3-5-9-21)25(32)28(22)17-19-7-6-14-26-16-19/h3-14,16,22H,2,15,17H2,1H3,(H,27,30)/t22-/m1/s1
InChIKeyMKSZRSYSRBSNCK-JOCHJYFZSA-N
MW428.49 g/mol
LogP4.01
Rot. Bonds7

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

2-[(4R)-2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-ethylphenyl)acetamide (PubChem CID 92742885) has the molecular formula C25H24N4O3 and a molecular weight of 428.49 g/mol. Its IUPAC name is 2-[(4R)-2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-ethylphenyl)acetamide.

Molecular Properties

Compound Name2-[(4R)-2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-ethylphenyl)acetamide
PubChem CID92742885
Molecular FormulaC25H24N4O3
Molecular Weight428.49 g/mol
Exact Mass428.18
IUPAC Name2-[(4R)-2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-ethylphenyl)acetamide
SMILESCCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2cccnc2)cc1
InChIInChI=1S/C25H24N4O3/c1-2-18-10-12-20(13-11-18)27-23(30)15-22-24(31)29(21-8-4-3-5-9-21)25(32)28(22)17-19-7-6-14-26-16-19/h3-14,16,22H,2,15,17H2,1H3,(H,27,30)/t22-/m1/s1
InChIKeyMKSZRSYSRBSNCK-JOCHJYFZSA-N
XLogP4.01
TPSA82.61 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.49
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-(4-methoxyphenyl)-2-[1-(4-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetamide
CID 3165121
N-(4-ethylphenyl)-2-[3-(furan-2-ylmethyl)-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 17118503
2-(2,5-dioxo-1-phenyl-3-prop-2-enylimidazolidin-4-yl)-N-(4-ethylphenyl)acetamide
CID 45106613
ethyl 3-[[2-[1-(3-methylphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 17118481
ethyl 3-[[2-[(4S)-1-(3-methoxyphenyl)-2,5-dioxo-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]acetyl]amino]benzoate
CID 28698571
N-(4-ethylphenyl)-2-[(4S)-1-(4-methoxyphenyl)-3-[(4-methoxyphenyl)methyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 40774472
ethyl 4-[[2-[(4R)-3-[(4-methylphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate
CID 40774792
N-(4-ethylphenyl)-2-[(4R)-3-[(4-fluorophenyl)methyl]-1-(3-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 40774460
N-(4-methoxyphenyl)-2-[(4S)-3-[(3-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 41001950
2-[(4S)-2,5-dioxo-1-phenyl-3-propan-2-ylimidazolidin-4-yl]-N-(4-ethylphenyl)acetamide
CID 7340927
N-(4-ethoxyphenyl)-2-[3-[(3-fluorophenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetamide
CID 4568240
ethyl 4-[[2-[(4S)-3-[(4-methoxyphenyl)methyl]-2,5-dioxo-1-phenylimidazolidin-4-yl]acetyl]amino]benzoate
CID 28698501

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-ethylphenyl)acetamide?
The IUPAC name of 2-[(4R)-2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-ethylphenyl)acetamide (CID 92742885) is 2-[(4R)-2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-ethylphenyl)acetamide.
What is the SMILES notation for 2-[(4R)-2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-ethylphenyl)acetamide?
The canonical SMILES for 2-[(4R)-2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-ethylphenyl)acetamide is CCc1ccc(NC(=O)C[C@@H]2C(=O)N(c3ccccc3)C(=O)N2Cc2cccnc2)cc1.
What is the InChIKey of 2-[(4R)-2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-ethylphenyl)acetamide?
The InChIKey is MKSZRSYSRBSNCK-JOCHJYFZSA-N. The full InChI is InChI=1S/C25H24N4O3/c1-2-18-10-12-20(13-11-18)27-23(30)15-22-24(31)29(21-8-4-3-5-9-21)25(32)28(22)17-19-7-6-14-26-16-19/h3-14,16,22H,2,15,17H2,1H3,(H,27,30)/t22-/m1/s1.
What are the key properties of 2-[(4R)-2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-ethylphenyl)acetamide?
2-[(4R)-2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-ethylphenyl)acetamide has a molecular weight of 428.49 g/mol, XLogP of 4.01, 7 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-2,5-dioxo-1-phenyl-3-(pyridin-3-ylmethyl)imidazolidin-4-yl]-N-(4-ethylphenyl)acetamide is sourced from PubChem (CID 92742885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).