1-(4-methylsulfanylphenyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one

C20H22N6OS — CID 155748047

IUPAC1-(4-methylsulfanylphenyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
SMILESCSc1ccc(N2CCN(c3ccc(-c4nncn4C(C)C)cn3)C2=O)cc1
InChIInChI=1S/C20H22N6OS/c1-14(2)26-13-22-23-19(26)15-4-9-18(21-12-15)25-11-10-24(20(25)27)16-5-7-17(28-3)8-6-16/h4-9,12-14H,10-11H2,1-3H3
InChIKeyLSKLSLFFIONCKK-UHFFFAOYSA-N
MW394.50 g/mol
LogP4.09
Rot. Bonds5

About 1-(4-methylsulfanylphenyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one

1-(4-methylsulfanylphenyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one (PubChem CID 155748047) has the molecular formula C20H22N6OS and a molecular weight of 394.50 g/mol. Its IUPAC name is 1-(4-methylsulfanylphenyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(4-methylsulfanylphenyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
PubChem CID155748047
Molecular FormulaC20H22N6OS
Molecular Weight394.50 g/mol
Exact Mass394.16
IUPAC Name1-(4-methylsulfanylphenyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one
SMILESCSc1ccc(N2CCN(c3ccc(-c4nncn4C(C)C)cn3)C2=O)cc1
InChIInChI=1S/C20H22N6OS/c1-14(2)26-13-22-23-19(26)15-4-9-18(21-12-15)25-11-10-24(20(25)27)16-5-7-17(28-3)8-6-16/h4-9,12-14H,10-11H2,1-3H3
InChIKeyLSKLSLFFIONCKK-UHFFFAOYSA-N
XLogP4.09
TPSA67.15 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.50
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 1-(4-methylsulfanylphenyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one with MolForge

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Related Compounds

1-[({4-(4-methylphenyl)-5-[(1-methyl-1H-pyrrol-2-yl)methyl]-4H-1,2,4-triazol-3-yl}thio)acetyl]-4-phenylpiperazine
CID 3241829
3-((4-methyl-5-((pyridin-3-ylmethyl)thio)-4H-1,2,4-triazol-3-yl)methyl)benzo[d]thiazol-2(3H)-one
CID 5308539
2-(4-Benzyl-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CID 646019
2-(5-Pyridin-2-yl-4-o-tolyl-4H-[1,2,4]triazol-3-ylsulfanyl)-1-pyrrolidin-1-yl-ethanone
CID 652877
2-[4-(2-Ethyl-phenyl)-5-pyridin-2-yl-4H-[1,2,4]triazol-3-ylsulfanyl]-1-pyrrolidin-1-yl-ethanone
CID 654960
N,N-dimethyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 687994
1-(2-Fluoro-4-methylphenyl)-3-[6-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazol-2-one
CID 155230977
US11124496, Example 7
CID 137549614
US11124496, Example 6
CID 137549625
US11124496, Example 1
CID 137549626
US11124496, Example 4
CID 137550471
N,N-diethyl-2-[(4-phenyl-5-pyridin-3-yl-1,2,4-triazol-3-yl)sulfanyl]acetamide
CID 1264536

Frequently Asked Questions

What is the IUPAC name of 1-(4-methylsulfanylphenyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one?
The IUPAC name of 1-(4-methylsulfanylphenyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one (CID 155748047) is 1-(4-methylsulfanylphenyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one.
What is the SMILES notation for 1-(4-methylsulfanylphenyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one?
The canonical SMILES for 1-(4-methylsulfanylphenyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one is CSc1ccc(N2CCN(c3ccc(-c4nncn4C(C)C)cn3)C2=O)cc1.
What is the InChIKey of 1-(4-methylsulfanylphenyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one?
The InChIKey is LSKLSLFFIONCKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6OS/c1-14(2)26-13-22-23-19(26)15-4-9-18(21-12-15)25-11-10-24(20(25)27)16-5-7-17(28-3)8-6-16/h4-9,12-14H,10-11H2,1-3H3.
What are the key properties of 1-(4-methylsulfanylphenyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one?
1-(4-methylsulfanylphenyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one has a molecular weight of 394.50 g/mol, XLogP of 4.09, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-methylsulfanylphenyl)-3-[5-(4-propan-2-yl-1,2,4-triazol-3-yl)-2-pyridinyl]imidazolidin-2-one is sourced from PubChem (CID 155748047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).