2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide

C23H23N5O4 — CID 102564386

IUPAC2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
SMILESCOc1ccc(N2C(=O)N[C@@H](CC(=O)NC(c3ccccc3)c3nccn3C)C2=O)cc1
InChIInChI=1S/C23H23N5O4/c1-27-13-12-24-21(27)20(15-6-4-3-5-7-15)26-19(29)14-18-22(30)28(23(31)25-18)16-8-10-17(32-2)11-9-16/h3-13,18,20H,14H2,1-2H3,(H,25,31)(H,26,29)/t18-,20?/m0/s1
InChIKeyYYTSFLYMBRINAV-LROBGIAVSA-N
MW433.47 g/mol
LogP2.15
Rot. Bonds7

About 2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide

2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide (PubChem CID 102564386) has the molecular formula C23H23N5O4 and a molecular weight of 433.47 g/mol. Its IUPAC name is 2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide.

Molecular Properties

Compound Name2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
PubChem CID102564386
Molecular FormulaC23H23N5O4
Molecular Weight433.47 g/mol
Exact Mass433.18
IUPAC Name2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide
SMILESCOc1ccc(N2C(=O)N[C@@H](CC(=O)NC(c3ccccc3)c3nccn3C)C2=O)cc1
InChIInChI=1S/C23H23N5O4/c1-27-13-12-24-21(27)20(15-6-4-3-5-7-15)26-19(29)14-18-22(30)28(23(31)25-18)16-8-10-17(32-2)11-9-16/h3-13,18,20H,14H2,1-2H3,(H,25,31)(H,26,29)/t18-,20?/m0/s1
InChIKeyYYTSFLYMBRINAV-LROBGIAVSA-N
XLogP2.15
TPSA105.56 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500433.47
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

3-[(4R)-2,5-dioxo-1-(4-propan-2-ylphenyl)imidazolidin-4-yl]-N-[(R)-(1-methylimidazol-2-yl)-phenylmethyl]propanamide
CID 124854337
N-(3,3-diphenylpropyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91823488
2-(2-bicyclo[2.2.1]heptanyl)-N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 42924349
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 46528475
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-3-phenylpropanamide
CID 42924338
2-[(3aR,7aR)-1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl]-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 124818173
N-(2-imidazol-1-ylethyl)-2-[1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91823097
N-[(S)-(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-phenylacetamide
CID 40720270
3-cyclopentyl-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]propanamide
CID 25346365
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(R)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25334850
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(S)-(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]acetamide
CID 25334851
2-[[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]carbamoylamino]-N,2-diphenylacetamide
CID 55911891

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The IUPAC name of 2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide (CID 102564386) is 2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide.
What is the SMILES notation for 2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The canonical SMILES for 2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide is COc1ccc(N2C(=O)N[C@@H](CC(=O)NC(c3ccccc3)c3nccn3C)C2=O)cc1.
What is the InChIKey of 2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
The InChIKey is YYTSFLYMBRINAV-LROBGIAVSA-N. The full InChI is InChI=1S/C23H23N5O4/c1-27-13-12-24-21(27)20(15-6-4-3-5-7-15)26-19(29)14-18-22(30)28(23(31)25-18)16-8-10-17(32-2)11-9-16/h3-13,18,20H,14H2,1-2H3,(H,25,31)(H,26,29)/t18-,20?/m0/s1.
What are the key properties of 2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide?
2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide has a molecular weight of 433.47 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-(4-methoxyphenyl)-2,5-dioxoimidazolidin-4-yl]-N-[(1-methylimidazol-2-yl)-phenylmethyl]acetamide is sourced from PubChem (CID 102564386), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).