5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione

C25H23N5S — CID 133181733

IUPAC5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione
SMILESCc1cccc(-n2cccc2C2C(c3ccccn3)NC(=S)N2Cc2ccccn2)c1
InChIInChI=1S/C25H23N5S/c1-18-8-6-10-20(16-18)29-15-7-12-22(29)24-23(21-11-3-5-14-27-21)28-25(31)30(24)17-19-9-2-4-13-26-19/h2-16,23-24H,17H2,1H3,(H,28,31)
InChIKeyYTNGXOHWJVVHQZ-UHFFFAOYSA-N
MW425.56 g/mol
LogP4.75
Rot. Bonds5

About 5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione

5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione (PubChem CID 133181733) has the molecular formula C25H23N5S and a molecular weight of 425.56 g/mol. Its IUPAC name is 5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione.

Molecular Properties

Compound Name5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione
PubChem CID133181733
Molecular FormulaC25H23N5S
Molecular Weight425.56 g/mol
Exact Mass425.17
IUPAC Name5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione
SMILESCc1cccc(-n2cccc2C2C(c3ccccn3)NC(=S)N2Cc2ccccn2)c1
InChIInChI=1S/C25H23N5S/c1-18-8-6-10-20(16-18)29-15-7-12-22(29)24-23(21-11-3-5-14-27-21)28-25(31)30(24)17-19-9-2-4-13-26-19/h2-16,23-24H,17H2,1H3,(H,28,31)
InChIKeyYTNGXOHWJVVHQZ-UHFFFAOYSA-N
XLogP4.75
TPSA45.98 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500425.56
LogP ≤ 54.75
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-(3-methylphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221884
1-(3,5-dimethylphenyl)-5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133162526
5-[1-(3,4-dimethylphenyl)pyrrol-2-yl]-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158078
1-(2-methoxyphenyl)-5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133183027
5-[1-(3-methoxyphenyl)pyrrol-2-yl]-1-propyl-4-pyridin-2-ylimidazolidine-2-thione
CID 133221963
1-(2-hydroxyethyl)-5-[1-(3-methoxyphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181971
3-[2-(3-ethyl-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl)pyrrol-1-yl]benzoic acid
CID 133221624
1-[(4-methoxyphenyl)methyl]-5-[1-(4-methylphenyl)pyrrol-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133181291
N-[4-[(4R,5R)-5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100612484
N-[4-[(4S,5S)-5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 100612432
N-[2-methyl-4-[(4S,5R)-5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]propanamide
CID 100554668
5-(1-ethylpyrrol-2-yl)-1-(3-methylphenyl)-4-pyridin-2-ylimidazolidine-2-thione
CID 133158108

Frequently Asked Questions

What is the IUPAC name of 5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione?
The IUPAC name of 5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione (CID 133181733) is 5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione.
What is the SMILES notation for 5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione?
The canonical SMILES for 5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione is Cc1cccc(-n2cccc2C2C(c3ccccn3)NC(=S)N2Cc2ccccn2)c1.
What is the InChIKey of 5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione?
The InChIKey is YTNGXOHWJVVHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H23N5S/c1-18-8-6-10-20(16-18)29-15-7-12-22(29)24-23(21-11-3-5-14-27-21)28-25(31)30(24)17-19-9-2-4-13-26-19/h2-16,23-24H,17H2,1H3,(H,28,31).
What are the key properties of 5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione?
5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione has a molecular weight of 425.56 g/mol, XLogP of 4.75, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[1-(3-methylphenyl)pyrrol-2-yl]-4-pyridin-2-yl-1-(pyridin-2-ylmethyl)imidazolidine-2-thione is sourced from PubChem (CID 133181733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).