1-cyclohexyl-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

C23H26N4OS — CID 133222725

IUPAC1-cyclohexyl-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESS=C1NC(c2ccccn2)C(c2cccn2Cc2ccco2)N1C1CCCCC1
InChIInChI=1S/C23H26N4OS/c29-23-25-21(19-11-4-5-13-24-19)22(27(23)17-8-2-1-3-9-17)20-12-6-14-26(20)16-18-10-7-15-28-18/h4-7,10-15,17,21-22H,1-3,8-9,16H2,(H,25,29)
InChIKeyILKGCNDPDNVZOU-UHFFFAOYSA-N
MW406.56 g/mol
LogP4.83
Rot. Bonds5

About 1-cyclohexyl-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione

1-cyclohexyl-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133222725) has the molecular formula C23H26N4OS and a molecular weight of 406.56 g/mol. Its IUPAC name is 1-cyclohexyl-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-cyclohexyl-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133222725
Molecular FormulaC23H26N4OS
Molecular Weight406.56 g/mol
Exact Mass406.18
IUPAC Name1-cyclohexyl-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESS=C1NC(c2ccccn2)C(c2cccn2Cc2ccco2)N1C1CCCCC1
InChIInChI=1S/C23H26N4OS/c29-23-25-21(19-11-4-5-13-24-19)22(27(23)17-8-2-1-3-9-17)20-12-6-14-26(20)16-18-10-7-15-28-18/h4-7,10-15,17,21-22H,1-3,8-9,16H2,(H,25,29)
InChIKeyILKGCNDPDNVZOU-UHFFFAOYSA-N
XLogP4.83
TPSA46.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500406.56
LogP ≤ 54.83
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

5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221377
(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
(4R,5R)-5-(1-cyclohexylpyrrol-2-yl)-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100525870
(4S,5R)-1-cyclopentyl-5-(furan-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
CID 100522235
5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222387
(4R,5S)-1-(3-anilinopropyl)-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100529801
1-cyclohexyl-5-[1-(4-hydroxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133222803
N-[4-[(4R,5R)-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100612950
(4S,5R)-1-cyclopentyl-5-[1-(4-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100525965
(4R,5S)-5-[1-(4-bromophenyl)pyrrol-2-yl]-1-cyclopentyl-4-pyridin-2-ylimidazolidine-2-thione
CID 100526209
(4S,5S)-1-cyclopentyl-5-[1-(4-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 100525958

Frequently Asked Questions

What is the IUPAC name of 1-cyclohexyl-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-cyclohexyl-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133222725) is 1-cyclohexyl-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-cyclohexyl-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-cyclohexyl-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is S=C1NC(c2ccccn2)C(c2cccn2Cc2ccco2)N1C1CCCCC1.
What is the InChIKey of 1-cyclohexyl-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is ILKGCNDPDNVZOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4OS/c29-23-25-21(19-11-4-5-13-24-19)22(27(23)17-8-2-1-3-9-17)20-12-6-14-26(20)16-18-10-7-15-28-18/h4-7,10-15,17,21-22H,1-3,8-9,16H2,(H,25,29).
What are the key properties of 1-cyclohexyl-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
1-cyclohexyl-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 406.56 g/mol, XLogP of 4.83, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclohexyl-5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133222725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).