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

C25H29N5OS — CID 133222964

IUPAC5-[1-(2-methylphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccccc1-n1cccc1C1C(c2ccccn2)NC(=S)N1CCN1CCOCC1
InChIInChI=1S/C25H29N5OS/c1-19-7-2-3-9-21(19)29-12-6-10-22(29)24-23(20-8-4-5-11-26-20)27-25(32)30(24)14-13-28-15-17-31-18-16-28/h2-12,23-24H,13-18H2,1H3,(H,27,32)
InChIKeyKDCXVHNUOQKUKE-UHFFFAOYSA-N
MW447.61 g/mol
LogP3.49
Rot. Bonds6

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

5-[1-(2-methylphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133222964) has the molecular formula C25H29N5OS and a molecular weight of 447.61 g/mol. Its IUPAC name is 5-[1-(2-methylphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name5-[1-(2-methylphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133222964
Molecular FormulaC25H29N5OS
Molecular Weight447.61 g/mol
Exact Mass447.21
IUPAC Name5-[1-(2-methylphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccccc1-n1cccc1C1C(c2ccccn2)NC(=S)N1CCN1CCOCC1
InChIInChI=1S/C25H29N5OS/c1-19-7-2-3-9-21(19)29-12-6-10-22(29)24-23(20-8-4-5-11-26-20)27-25(32)30(24)14-13-28-15-17-31-18-16-28/h2-12,23-24H,13-18H2,1H3,(H,27,32)
InChIKeyKDCXVHNUOQKUKE-UHFFFAOYSA-N
XLogP3.49
TPSA45.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500447.61
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222890
5-(1-methylpyrrol-2-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222961
1-ethyl-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133221611
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
(4R,5R)-1-(3-anilinopropyl)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100532064
5-(5-methyl-1-phenylpyrrol-2-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133223017
5-[1-(2,3-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222942
N-(4-fluorophenyl)-3-[5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 133208842
N-(2,5-dimethylphenyl)-3-[(4S,5S)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100705819
N-(3-methylphenyl)-3-[(4R,5R)-5-[1-(2-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100711527
5-(1-cyclopropyl-2,5-dimethylpyrrol-3-yl)-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222887

Frequently Asked Questions

What is the IUPAC name of 5-[1-(2-methylphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 5-[1-(2-methylphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133222964) is 5-[1-(2-methylphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 5-[1-(2-methylphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 5-[1-(2-methylphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1ccccc1-n1cccc1C1C(c2ccccn2)NC(=S)N1CCN1CCOCC1.
What is the InChIKey of 5-[1-(2-methylphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is KDCXVHNUOQKUKE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5OS/c1-19-7-2-3-9-21(19)29-12-6-10-22(29)24-23(20-8-4-5-11-26-20)27-25(32)30(24)14-13-28-15-17-31-18-16-28/h2-12,23-24H,13-18H2,1H3,(H,27,32).
What are the key properties of 5-[1-(2-methylphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione?
5-[1-(2-methylphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 447.61 g/mol, XLogP of 3.49, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(2-methylphenyl)pyrrol-2-yl]-1-(2-morpholin-4-ylethyl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133222964), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).