3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione

C22H23N3O3 — CID 47006749

IUPAC3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
SMILESCc1cc(C)cc(OCCN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)c1
InChIInChI=1S/C22H23N3O3/c1-14-9-15(2)11-17(10-14)28-8-7-25-21(26)20(24-22(25)27)12-16-13-23-19-6-4-3-5-18(16)19/h3-6,9-11,13,20,23H,7-8,12H2,1-2H3,(H,24,27)
InChIKeySNKCZEHKZLMEFQ-UHFFFAOYSA-N
MW377.44 g/mol
LogP3.33
Rot. Bonds6

About 3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione

3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione (PubChem CID 47006749) has the molecular formula C22H23N3O3 and a molecular weight of 377.44 g/mol. Its IUPAC name is 3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
PubChem CID47006749
Molecular FormulaC22H23N3O3
Molecular Weight377.44 g/mol
Exact Mass377.17
IUPAC Name3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
SMILESCc1cc(C)cc(OCCN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)c1
InChIInChI=1S/C22H23N3O3/c1-14-9-15(2)11-17(10-14)28-8-7-25-21(26)20(24-22(25)27)12-16-13-23-19-6-4-3-5-18(16)19/h3-6,9-11,13,20,23H,7-8,12H2,1-2H3,(H,24,27)
InChIKeySNKCZEHKZLMEFQ-UHFFFAOYSA-N
XLogP3.33
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500377.44
LogP ≤ 53.33
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

(5S)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 34061337
(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
(5S)-5-(1H-indol-3-ylmethyl)-3-[(2-methylphenyl)methyl]imidazolidine-2,4-dione
CID 2615738
(5R)-5-(1H-indol-3-ylmethyl)-3-[[4-[[(4R)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]methyl]phenyl]methyl]imidazolidine-2,4-dione
CID 92535449
(3S,6S)-3,6-bis(1H-indol-3-ylmethyl)-1-methylpiperazine-2,5-dione
CID 132546652
(5R)-5-(1H-indol-3-ylmethyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 2114779
N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46594413
(5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 51532327
(5R)-5-(1H-indol-3-ylmethyl)-3-[(5-methyl-1,3,4-oxadiazol-2-yl)methyl]imidazolidine-2,4-dione
CID 9208133
2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]-N,N-di(propan-2-yl)acetamide
CID 47003741
(5S)-3-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 906675

Frequently Asked Questions

What is the IUPAC name of 3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione (CID 47006749) is 3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione is Cc1cc(C)cc(OCCN2C(=O)NC(Cc3c[nH]c4ccccc34)C2=O)c1.
What is the InChIKey of 3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is SNKCZEHKZLMEFQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H23N3O3/c1-14-9-15(2)11-17(10-14)28-8-7-25-21(26)20(24-22(25)27)12-16-13-23-19-6-4-3-5-18(16)19/h3-6,9-11,13,20,23H,7-8,12H2,1-2H3,(H,24,27).
What are the key properties of 3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 377.44 g/mol, XLogP of 3.33, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 47006749), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).