(4S,5S)-1-cyclopentyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

C24H26N4OS — CID 100523326

IUPAC(4S,5S)-1-cyclopentyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCC1
InChIInChI=1S/C24H26N4OS/c1-29-21-14-5-4-12-19(21)27-16-8-13-20(27)23-22(18-11-6-7-15-25-18)26-24(30)28(23)17-9-2-3-10-17/h4-8,11-17,22-23H,2-3,9-10H2,1H3,(H,26,30)/t22-,23-/m1/s1
InChIKeyAHEAHFZTJNFQTO-DHIUTWEWSA-N
MW418.57 g/mol
LogP4.80
Rot. Bonds5

About (4S,5S)-1-cyclopentyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

(4S,5S)-1-cyclopentyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 100523326) has the molecular formula C24H26N4OS and a molecular weight of 418.57 g/mol. Its IUPAC name is (4S,5S)-1-cyclopentyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name(4S,5S)-1-cyclopentyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID100523326
Molecular FormulaC24H26N4OS
Molecular Weight418.57 g/mol
Exact Mass418.18
IUPAC Name(4S,5S)-1-cyclopentyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCOc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCC1
InChIInChI=1S/C24H26N4OS/c1-29-21-14-5-4-12-19(21)27-16-8-13-20(27)23-22(18-11-6-7-15-25-18)26-24(30)28(23)17-9-2-3-10-17/h4-8,11-17,22-23H,2-3,9-10H2,1H3,(H,26,30)/t22-,23-/m1/s1
InChIKeyAHEAHFZTJNFQTO-DHIUTWEWSA-N
XLogP4.80
TPSA42.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500418.57
LogP ≤ 54.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

1-cyclohexyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133222716
1-cyclohexyl-5-[1-(4-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133222802
(4S,5S)-1-cyclopentyl-5-[1-(4-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100525958
(4S,5R)-1-cyclopentyl-5-[1-(4-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100525965
1-[2-(dimethylamino)ethyl]-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133223389
5-[1-(2-methoxyphenyl)pyrrol-2-yl]-1-(4-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133157824
(4R,5S)-5-[1-(4-bromophenyl)pyrrol-2-yl]-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100526209
(4S,5S)-1-cyclopentyl-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione
CID 100522604
(4R,5R)-1-cyclopentyl-5-[1-[4-(dimethylamino)phenyl]pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100526016
1-cyclohexyl-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133222803
(4S,5R)-5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100525879
5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133241949

Frequently Asked Questions

What is the IUPAC name of (4S,5S)-1-cyclopentyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of (4S,5S)-1-cyclopentyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 100523326) is (4S,5S)-1-cyclopentyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for (4S,5S)-1-cyclopentyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for (4S,5S)-1-cyclopentyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is COc1ccccc1-n1cccc1[C@@H]1[C@@H](c2ccccn2)NC(=S)N1C1CCCC1.
What is the InChIKey of (4S,5S)-1-cyclopentyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is AHEAHFZTJNFQTO-DHIUTWEWSA-N. The full InChI is InChI=1S/C24H26N4OS/c1-29-21-14-5-4-12-19(21)27-16-8-13-20(27)23-22(18-11-6-7-15-25-18)26-24(30)28(23)17-9-2-3-10-17/h4-8,11-17,22-23H,2-3,9-10H2,1H3,(H,26,30)/t22-,23-/m1/s1.
What are the key properties of (4S,5S)-1-cyclopentyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
(4S,5S)-1-cyclopentyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 418.57 g/mol, XLogP of 4.80, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4S,5S)-1-cyclopentyl-5-[1-(2-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 100523326), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).