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

C21H20FN3O3 — CID 17434228

IUPAC3-[3-(4-fluorophenoxy)propyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1CCCOc1ccc(F)cc1
InChIInChI=1S/C21H20FN3O3/c22-15-6-8-16(9-7-15)28-11-3-10-25-20(26)19(24-21(25)27)12-14-13-23-18-5-2-1-4-17(14)18/h1-2,4-9,13,19,23H,3,10-12H2,(H,24,27)
InChIKeyAUJCXRPHMGHOSL-UHFFFAOYSA-N
MW381.41 g/mol
LogP3.24
Rot. Bonds7

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

3-[3-(4-fluorophenoxy)propyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione (PubChem CID 17434228) has the molecular formula C21H20FN3O3 and a molecular weight of 381.41 g/mol. Its IUPAC name is 3-[3-(4-fluorophenoxy)propyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione.

Molecular Properties

Compound Name3-[3-(4-fluorophenoxy)propyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
PubChem CID17434228
Molecular FormulaC21H20FN3O3
Molecular Weight381.41 g/mol
Exact Mass381.15
IUPAC Name3-[3-(4-fluorophenoxy)propyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
SMILESO=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1CCCOc1ccc(F)cc1
InChIInChI=1S/C21H20FN3O3/c22-15-6-8-16(9-7-15)28-11-3-10-25-20(26)19(24-21(25)27)12-14-13-23-18-5-2-1-4-17(14)18/h1-2,4-9,13,19,23H,3,10-12H2,(H,24,27)
InChIKeyAUJCXRPHMGHOSL-UHFFFAOYSA-N
XLogP3.24
TPSA74.43 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.41
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

(5R)-3-[2-(4-fluorophenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 2100381
(5S)-3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 34061337
3-[2-(3,5-dimethylphenoxy)ethyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 47006749
(5S)-3-[(2,3-difluorophenyl)methyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 51532327
(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
N-[2-(4-ethoxyphenoxy)ethyl]-2-[4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 46594413
(5R)-5-(1H-indol-3-ylmethyl)-3-(naphthalen-1-ylmethyl)imidazolidine-2,4-dione
CID 2114779
(5S)-3-(4-ethoxyphenyl)-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione
CID 906675
N-(4-ethoxyphenyl)-2-[(4S)-4-(1H-indol-3-ylmethyl)-2,5-dioxoimidazolidin-1-yl]acetamide
CID 7901676
(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
3-(4-fluorophenyl)-5-(1H-indol-3-ylmethyl)-2-sulfanylideneimidazolidin-4-one
CID 4614488

Frequently Asked Questions

What is the IUPAC name of 3-[3-(4-fluorophenoxy)propyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
The IUPAC name of 3-[3-(4-fluorophenoxy)propyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione (CID 17434228) is 3-[3-(4-fluorophenoxy)propyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione.
What is the SMILES notation for 3-[3-(4-fluorophenoxy)propyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
The canonical SMILES for 3-[3-(4-fluorophenoxy)propyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione is O=C1NC(Cc2c[nH]c3ccccc23)C(=O)N1CCCOc1ccc(F)cc1.
What is the InChIKey of 3-[3-(4-fluorophenoxy)propyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
The InChIKey is AUJCXRPHMGHOSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20FN3O3/c22-15-6-8-16(9-7-15)28-11-3-10-25-20(26)19(24-21(25)27)12-14-13-23-18-5-2-1-4-17(14)18/h1-2,4-9,13,19,23H,3,10-12H2,(H,24,27).
What are the key properties of 3-[3-(4-fluorophenoxy)propyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione?
3-[3-(4-fluorophenoxy)propyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione has a molecular weight of 381.41 g/mol, XLogP of 3.24, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[3-(4-fluorophenoxy)propyl]-5-(1H-indol-3-ylmethyl)imidazolidine-2,4-dione is sourced from PubChem (CID 17434228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).