5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione

C25H29N5O2S — CID 133222890

IUPAC5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1ccccc1-n1cccc1C1C(c2ccccn2)NC(=S)N1CCN1CCOCC1
InChIInChI=1S/C25H29N5O2S/c1-31-22-10-3-2-8-20(22)29-12-6-9-21(29)24-23(19-7-4-5-11-26-19)27-25(33)30(24)14-13-28-15-17-32-18-16-28/h2-12,23-24H,13-18H2,1H3,(H,27,33)
InChIKeyOMNRXAWMCFKLTC-UHFFFAOYSA-N
MW463.61 g/mol
LogP3.19
Rot. Bonds7

About 5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione

5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133222890) has the molecular formula C25H29N5O2S and a molecular weight of 463.61 g/mol. Its IUPAC name is 5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133222890
Molecular FormulaC25H29N5O2S
Molecular Weight463.61 g/mol
Exact Mass463.20
IUPAC Name5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1ccccc1-n1cccc1C1C(c2ccccn2)NC(=S)N1CCN1CCOCC1
InChIInChI=1S/C25H29N5O2S/c1-31-22-10-3-2-8-20(22)29-12-6-9-21(29)24-23(19-7-4-5-11-26-19)27-25(33)30(24)14-13-28-15-17-32-18-16-28/h2-12,23-24H,13-18H2,1H3,(H,27,33)
InChIKeyOMNRXAWMCFKLTC-UHFFFAOYSA-N
XLogP3.19
TPSA54.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500463.61
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(2-methylphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222964
1-[2-(dimethylamino)ethyl]-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223389
5-(1-methylpyrrol-2-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222961
methyl 3-[5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanoate
CID 133155625
5-[1-(3-chlorophenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222891
5-(1-ethylpyrrol-2-yl)-1-(3-morpholin-4-ylpropyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223179
(4S,5S)-1-cyclopentyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100523326
2-[(4S,5R)-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylacetamide
CID 100656813
1-cyclohexyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133222716
5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157824
5-(5-methyl-1-phenylpyrrol-2-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223017
1-[4-(dimethylamino)phenyl]-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133156470

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133222890) is 5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione is COc1ccccc1-n1cccc1C1C(c2ccccn2)NC(=S)N1CCN1CCOCC1.
What is the InChIKey of 5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is OMNRXAWMCFKLTC-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2S/c1-31-22-10-3-2-8-20(22)29-12-6-9-21(29)24-23(19-7-4-5-11-26-19)27-25(33)30(24)14-13-28-15-17-32-18-16-28/h2-12,23-24H,13-18H2,1H3,(H,27,33).
What are the key properties of 5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 463.61 g/mol, XLogP of 3.19, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133222890), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).