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

C23H21N5OS — CID 133223712

IUPAC1-(furan-2-ylmethyl)-5-[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccc(-n2cccc2C2C(c3ccccn3)NC(=S)N2Cc2ccco2)nc1
InChIInChI=1S/C23H21N5OS/c1-16-9-10-20(25-14-16)27-12-4-8-19(27)22-21(18-7-2-3-11-24-18)26-23(30)28(22)15-17-6-5-13-29-17/h2-14,21-22H,15H2,1H3,(H,26,30)
InChIKeyFYLKZVRROFCSMA-UHFFFAOYSA-N
MW415.52 g/mol
LogP4.34
Rot. Bonds5

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

1-(furan-2-ylmethyl)-5-[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133223712) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is 1-(furan-2-ylmethyl)-5-[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-(furan-2-ylmethyl)-5-[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133223712
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC Name1-(furan-2-ylmethyl)-5-[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccc(-n2cccc2C2C(c3ccccn3)NC(=S)N2Cc2ccco2)nc1
InChIInChI=1S/C23H21N5OS/c1-16-9-10-20(25-14-16)27-12-4-8-19(27)22-21(18-7-2-3-11-24-18)26-23(30)28(22)15-17-6-5-13-29-17/h2-14,21-22H,15H2,1H3,(H,26,30)
InChIKeyFYLKZVRROFCSMA-UHFFFAOYSA-N
XLogP4.34
TPSA59.12 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.52
LogP ≤ 54.34
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

1-(furan-2-ylmethyl)-4-pyridin-2-yl-5-(1-pyridin-3-ylpyrrol-2-yl)imidazolidine-2-thione
CID 133223700
2-[(4R,5R)-5-[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-phenylacetamide
CID 100656309
1-(furan-2-ylmethyl)-5-[1-(3-nitrophenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133180963
1-(2-fluorophenyl)-5-[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133182350
5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-(2-methoxyethyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133222387
5-[1-(furan-2-ylmethyl)pyrrol-2-yl]-1-methyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221377
N-(2-fluorophenyl)-3-[(4S,5R)-5-[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]propanamide
CID 100695714
3-[(4S,5R)-5-[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]-N-naphthalen-1-ylpropanamide
CID 100727394
5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione
CID 133181733
1-[(4-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181291
(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-(furan-2-ylmethyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133222725

Frequently Asked Questions

What is the IUPAC name of 1-(furan-2-ylmethyl)-5-[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-(furan-2-ylmethyl)-5-[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione (CID 133223712) is 1-(furan-2-ylmethyl)-5-[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-(furan-2-ylmethyl)-5-[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-(furan-2-ylmethyl)-5-[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is Cc1ccc(-n2cccc2C2C(c3ccccn3)NC(=S)N2Cc2ccco2)nc1.
What is the InChIKey of 1-(furan-2-ylmethyl)-5-[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is FYLKZVRROFCSMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c1-16-9-10-20(25-14-16)27-12-4-8-19(27)22-21(18-7-2-3-11-24-18)26-23(30)28(22)15-17-6-5-13-29-17/h2-14,21-22H,15H2,1H3,(H,26,30).
What are the key properties of 1-(furan-2-ylmethyl)-5-[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione?
1-(furan-2-ylmethyl)-5-[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 415.52 g/mol, XLogP of 4.34, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(furan-2-ylmethyl)-5-[1-(5-methyl-2-pyridinyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133223712), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).