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

C23H24N4O4 — CID 71826817

IUPAC2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylindol-4-yl)acetamide
SMILESCOc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3cccc4c3ccn4C)C2=O)cc1
InChIInChI=1S/C23H24N4O4/c1-26-12-11-17-18(4-3-5-20(17)26)24-21(28)14-19-22(29)27(23(30)25-19)13-10-15-6-8-16(31-2)9-7-15/h3-9,11-12,19H,10,13-14H2,1-2H3,(H,24,28)(H,25,30)/t19-/m0/s1
InChIKeyIJLASHUFPCAWPE-IBGZPJMESA-N
MW420.47 g/mol
LogP2.68
Rot. Bonds7

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

2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylindol-4-yl)acetamide (PubChem CID 71826817) has the molecular formula C23H24N4O4 and a molecular weight of 420.47 g/mol. Its IUPAC name is 2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylindol-4-yl)acetamide.

Molecular Properties

Compound Name2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylindol-4-yl)acetamide
PubChem CID71826817
Molecular FormulaC23H24N4O4
Molecular Weight420.47 g/mol
Exact Mass420.18
IUPAC Name2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylindol-4-yl)acetamide
SMILESCOc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3cccc4c3ccn4C)C2=O)cc1
InChIInChI=1S/C23H24N4O4/c1-26-12-11-17-18(4-3-5-20(17)26)24-21(28)14-19-22(29)27(23(30)25-19)13-10-15-6-8-16(31-2)9-7-15/h3-9,11-12,19H,10,13-14H2,1-2H3,(H,24,28)(H,25,30)/t19-/m0/s1
InChIKeyIJLASHUFPCAWPE-IBGZPJMESA-N
XLogP2.68
TPSA92.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.47
LogP ≤ 52.68
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

2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-pyridin-2-ylacetamide
CID 99871448
N-(furan-2-ylmethyl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75491512
N-cyclopropyl-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75531992
2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-propan-2-ylacetamide
CID 75356839
2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1,3-thiazol-2-yl)acetamide
CID 99871503
N-(5,6-dihydro-4H-cyclopenta[d][1,3]thiazol-2-yl)-2-[(4R)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 99871248
N-(1H-indol-6-yl)-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 75531649
N-(1H-benzimidazol-2-ylmethyl)-2-[1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 86207018
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-5-yl)acetamide
CID 99871302
2-[(4R)-2,5-dioxo-1-(2-phenylethyl)imidazolidin-4-yl]-N-(1-methylindol-6-yl)acetamide
CID 99871318
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 71825761
N-[(2S)-1-hydroxy-3-methylbutan-2-yl]-2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91637144

Frequently Asked Questions

What is the IUPAC name of 2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylindol-4-yl)acetamide?
The IUPAC name of 2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylindol-4-yl)acetamide (CID 71826817) is 2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylindol-4-yl)acetamide.
What is the SMILES notation for 2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylindol-4-yl)acetamide?
The canonical SMILES for 2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylindol-4-yl)acetamide is COc1ccc(CCN2C(=O)N[C@@H](CC(=O)Nc3cccc4c3ccn4C)C2=O)cc1.
What is the InChIKey of 2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylindol-4-yl)acetamide?
The InChIKey is IJLASHUFPCAWPE-IBGZPJMESA-N. The full InChI is InChI=1S/C23H24N4O4/c1-26-12-11-17-18(4-3-5-20(17)26)24-21(28)14-19-22(29)27(23(30)25-19)13-10-15-6-8-16(31-2)9-7-15/h3-9,11-12,19H,10,13-14H2,1-2H3,(H,24,28)(H,25,30)/t19-/m0/s1.
What are the key properties of 2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylindol-4-yl)acetamide?
2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylindol-4-yl)acetamide has a molecular weight of 420.47 g/mol, XLogP of 2.68, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4S)-1-[2-(4-methoxyphenyl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(1-methylindol-4-yl)acetamide is sourced from PubChem (CID 71826817), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).