(5S)-3-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione

C20H19N3O3 — CID 906675

IUPAC(5S)-3-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
SMILESCCOc1ccc(N2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1
InChIInChI=1S/C20H19N3O3/c1-2-26-15-9-7-14(8-10-15)23-19(24)18(22-20(23)25)11-13-12-21-17-6-4-3-5-16(13)17/h3-10,12,18,21H,2,11H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyGKKZNTUUWUMQPD-SFHVURJKSA-N
MW349.39 g/mol
LogP3.23
Rot. Bonds5

About (5S)-3-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione

(5S)-3-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione (PubChem CID 906675) has the molecular formula C20H19N3O3 and a molecular weight of 349.39 g/mol. Its IUPAC name is (5S)-3-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name(5S)-3-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
PubChem CID906675
Molecular FormulaC20H19N3O3
Molecular Weight349.39 g/mol
Exact Mass349.14
IUPAC Name(5S)-3-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
SMILESCCOc1ccc(N2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1
InChIInChI=1S/C20H19N3O3/c1-2-26-15-9-7-14(8-10-15)23-19(24)18(22-20(23)25)11-13-12-21-17-6-4-3-5-16(13)17/h3-10,12,18,21H,2,11H2,1H3,(H,22,25)/t18-/m0/s1
InChIKeyGKKZNTUUWUMQPD-SFHVURJKSA-N
XLogP3.23
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 53.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

N-(4-ethoxyphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7901676
N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46594413
3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 4614488
N-(2,5-diethoxyphenyl)-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 42927220
(5R)-3-[2-(4-fluorophenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 2100381
3-[3-(4-fluorophenoxy)propyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 17434228
(5R)-3-(4-chloro-3-methylphenyl)-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 7029271
(5S)-5-(1H-indol-3-ylmethyl)-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2615738
(3S,6S)-3,6-bis(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 132546652
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]cyclopropanecarboxamide
CID 23859207
N-[1-(4-ethoxyphenyl)-2,5-dioxopyrrolidin-3-yl]-N-[2-(1H-indol-3-yl)ethyl]butanamide
CID 23971036
(5S)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 34061337

Frequently Asked Questions

What is the IUPAC name of (5S)-3-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of (5S)-3-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione (CID 906675) is (5S)-3-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for (5S)-3-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for (5S)-3-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione is CCOc1ccc(N2C(=O)N[C@@H](Cc3c[nH]c4ccccc34)C2=O)cc1.
What is the InChIKey of (5S)-3-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is GKKZNTUUWUMQPD-SFHVURJKSA-N. The full InChI is InChI=1S/C20H19N3O3/c1-2-26-15-9-7-14(8-10-15)23-19(24)18(22-20(23)25)11-13-12-21-17-6-4-3-5-16(13)17/h3-10,12,18,21H,2,11H2,1H3,(H,22,25)/t18-/m0/s1.
What are the key properties of (5S)-3-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
(5S)-3-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 349.39 g/mol, XLogP of 3.23, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (5S)-3-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 906675), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).