1-[4-(2-methylphenoxy)phenyl]-5-(3-methylthiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

C26H23N3OS2 — CID 133183500

IUPAC1-[4-(2-methylphenoxy)phenyl]-5-(3-methylthiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccccc1Oc1ccc(N2C(=S)NC(c3ccccn3)C2c2sccc2C)cc1
InChIInChI=1S/C26H23N3OS2/c1-17-7-3-4-9-22(17)30-20-12-10-19(11-13-20)29-24(25-18(2)14-16-32-25)23(28-26(29)31)21-8-5-6-15-27-21/h3-16,23-24H,1-2H3,(H,28,31)
InChIKeyKPJBJFCEZBHDNO-UHFFFAOYSA-N
MW457.62 g/mol
LogP6.73
Rot. Bonds5

About 1-[4-(2-methylphenoxy)phenyl]-5-(3-methylthiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione

1-[4-(2-methylphenoxy)phenyl]-5-(3-methylthiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (PubChem CID 133183500) has the molecular formula C26H23N3OS2 and a molecular weight of 457.62 g/mol. Its IUPAC name is 1-[4-(2-methylphenoxy)phenyl]-5-(3-methylthiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.

Molecular Properties

Compound Name1-[4-(2-methylphenoxy)phenyl]-5-(3-methylthiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
PubChem CID133183500
Molecular FormulaC26H23N3OS2
Molecular Weight457.62 g/mol
Exact Mass457.13
IUPAC Name1-[4-(2-methylphenoxy)phenyl]-5-(3-methylthiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione
SMILESCc1ccccc1Oc1ccc(N2C(=S)NC(c3ccccn3)C2c2sccc2C)cc1
InChIInChI=1S/C26H23N3OS2/c1-17-7-3-4-9-22(17)30-20-12-10-19(11-13-20)29-24(25-18(2)14-16-32-25)23(28-26(29)31)21-8-5-6-15-27-21/h3-16,23-24H,1-2H3,(H,28,31)
InChIKeyKPJBJFCEZBHDNO-UHFFFAOYSA-N
XLogP6.73
TPSA37.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.62
LogP ≤ 56.73
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-(5-bromothiophen-2-yl)-1-[4-(2-methylphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133183503
5-[5-(4-fluorophenyl)furan-2-yl]-1-[4-(2-methylphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133183628
5-[1-(2-chlorophenyl)-2,5-dimethylpyrrol-3-yl]-1-[4-(2-methylphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133183564
N-[2-methyl-4-[5-(3-methylthiophen-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]methanesulfonamide
CID 133207937
1-[4-(2-methylphenoxy)phenyl]-5-[5-(2-nitrophenyl)furan-2-yl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133183631
1-(4-methoxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 133155936
3-[2,5-dimethyl-3-[3-[4-(2-methylphenoxy)phenyl]-5-pyridin-2-yl-2-sulfanylideneimidazolidin-4-yl]pyrrol-1-yl]benzoic acid
CID 133183575
5-(7-chloro-1,2,2,4-tetramethylquinolin-6-yl)-1-[4-(2-methylphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133183516
1-[4-(4-methylphenoxy)phenyl]-4-pyridin-2-yl-5-(1H-pyrrol-2-yl)imidazolidine-2-thione
CID 133183674
(4R,5R)-1-(4-propan-2-yloxyphenyl)-4-pyridin-2-yl-5-thiophen-2-ylimidazolidine-2-thione
CID 100596502
N-[2-chloro-4-[(4S,5S)-5-(3-methylthiophen-2-yl)-4-pyridin-2-yl-2-sulfanylideneimidazolidin-1-yl]phenyl]-2-methylpropanamide
CID 100547239
5-[1-(2,6-dimethylphenyl)-2,5-dimethylpyrrol-3-yl]-1-[4-(4-methylphenoxy)phenyl]-4-pyridin-2-ylimidazolidine-2-thione
CID 133183752

Frequently Asked Questions

What is the IUPAC name of 1-[4-(2-methylphenoxy)phenyl]-5-(3-methylthiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The IUPAC name of 1-[4-(2-methylphenoxy)phenyl]-5-(3-methylthiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione (CID 133183500) is 1-[4-(2-methylphenoxy)phenyl]-5-(3-methylthiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione.
What is the SMILES notation for 1-[4-(2-methylphenoxy)phenyl]-5-(3-methylthiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The canonical SMILES for 1-[4-(2-methylphenoxy)phenyl]-5-(3-methylthiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is Cc1ccccc1Oc1ccc(N2C(=S)NC(c3ccccn3)C2c2sccc2C)cc1.
What is the InChIKey of 1-[4-(2-methylphenoxy)phenyl]-5-(3-methylthiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
The InChIKey is KPJBJFCEZBHDNO-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3OS2/c1-17-7-3-4-9-22(17)30-20-12-10-19(11-13-20)29-24(25-18(2)14-16-32-25)23(28-26(29)31)21-8-5-6-15-27-21/h3-16,23-24H,1-2H3,(H,28,31).
What are the key properties of 1-[4-(2-methylphenoxy)phenyl]-5-(3-methylthiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione?
1-[4-(2-methylphenoxy)phenyl]-5-(3-methylthiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione has a molecular weight of 457.62 g/mol, XLogP of 6.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(2-methylphenoxy)phenyl]-5-(3-methylthiophen-2-yl)-4-pyridin-2-ylimidazolidine-2-thione is sourced from PubChem (CID 133183500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).