2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

C22H22N4O3 — CID 124906480

IUPAC2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H22N4O3/c27-20(23-11-10-16-13-24-18-9-5-4-8-17(16)18)12-19-21(28)26(22(29)25-19)14-15-6-2-1-3-7-15/h1-9,13,19,24H,10-12,14H2,(H,23,27)(H,25,29)/t19-/m1/s1
InChIKeyANQBRUNQQCADNM-LJQANCHMSA-N
MW390.44 g/mol
LogP2.34
Rot. Bonds7

About 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide

2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (PubChem CID 124906480) has the molecular formula C22H22N4O3 and a molecular weight of 390.44 g/mol. Its IUPAC name is 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
PubChem CID124906480
Molecular FormulaC22H22N4O3
Molecular Weight390.44 g/mol
Exact Mass390.17
IUPAC Name2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide
SMILESO=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1c[nH]c2ccccc12
InChIInChI=1S/C22H22N4O3/c27-20(23-11-10-16-13-24-18-9-5-4-8-17(16)18)12-19-21(28)26(22(29)25-19)14-15-6-2-1-3-7-15/h1-9,13,19,24H,10-12,14H2,(H,23,27)(H,25,29)/t19-/m1/s1
InChIKeyANQBRUNQQCADNM-LJQANCHMSA-N
XLogP2.34
TPSA94.30 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.44
LogP ≤ 52.34
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(5-chloro-1H-indol-3-yl)ethyl]acetamide
CID 125434004
N-benzyl-2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]acetamide
CID 91638714
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N-(2-phenylethyl)acetamide
CID 3473430
2-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-methoxyethyl)acetamide
CID 124863434
2-[(4S)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(4-hydroxyphenyl)ethyl]acetamide
CID 91637918
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(pyridin-4-ylmethyl)acetamide
CID 91638372
3-(1-benzyl-2,5-dioxoimidazolidin-4-yl)-N-[2-(5-methoxy-1H-indol-3-yl)ethyl]propanamide
CID 75357106
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(2-morpholin-4-ylethyl)acetamide
CID 91640515
3-[(4R)-1-(1,3-benzodioxol-5-ylmethyl)-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]propanamide
CID 51833583
3-[(4R)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-(3-phenylpropyl)propanamide
CID 51842013
2-[(4S)-1-[2-(1H-indol-3-yl)ethyl]-2,5-dioxoimidazolidin-4-yl]-N-[(4-methoxyphenyl)methyl]acetamide
CID 91638530
2-[2-(1H-indol-3-yl)ethylamino]-N-(2-phenylethyl)acetamide
CID 108999978

Frequently Asked Questions

What is the IUPAC name of 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The IUPAC name of 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide (CID 124906480) is 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide.
What is the SMILES notation for 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The canonical SMILES for 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is O=C(C[C@H]1NC(=O)N(Cc2ccccc2)C1=O)NCCc1c[nH]c2ccccc12.
What is the InChIKey of 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
The InChIKey is ANQBRUNQQCADNM-LJQANCHMSA-N. The full InChI is InChI=1S/C22H22N4O3/c27-20(23-11-10-16-13-24-18-9-5-4-8-17(16)18)12-19-21(28)26(22(29)25-19)14-15-6-2-1-3-7-15/h1-9,13,19,24H,10-12,14H2,(H,23,27)(H,25,29)/t19-/m1/s1.
What are the key properties of 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide?
2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide has a molecular weight of 390.44 g/mol, XLogP of 2.34, 7 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4R)-1-benzyl-2,5-dioxoimidazolidin-4-yl]-N-[2-(1H-indol-3-yl)ethyl]acetamide is sourced from PubChem (CID 124906480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).