1-[6-(6-methyl-2-pyridinyl)-5-(3-methylsulfanylphenyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone

C20H20N4OS — CID 170341040

IUPAC1-[6-(6-methyl-2-pyridinyl)-5-(3-methylsulfanylphenyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone
SMILESCSc1cccc(-c2c(-c3cccc(C)n3)nc3n2CCN3C(C)=O)c1
InChIInChI=1S/C20H20N4OS/c1-13-6-4-9-17(21-13)18-19(15-7-5-8-16(12-15)26-3)24-11-10-23(14(2)25)20(24)22-18/h4-9,12H,10-11H2,1-3H3
InChIKeySPZLQIYDRPUHQM-UHFFFAOYSA-N
MW364.47 g/mol
LogP4.01
Rot. Bonds3

About 1-[6-(6-methyl-2-pyridinyl)-5-(3-methylsulfanylphenyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone

1-[6-(6-methyl-2-pyridinyl)-5-(3-methylsulfanylphenyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone (PubChem CID 170341040) has the molecular formula C20H20N4OS and a molecular weight of 364.47 g/mol. Its IUPAC name is 1-[6-(6-methyl-2-pyridinyl)-5-(3-methylsulfanylphenyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone.

Molecular Properties

Compound Name1-[6-(6-methyl-2-pyridinyl)-5-(3-methylsulfanylphenyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone
PubChem CID170341040
Molecular FormulaC20H20N4OS
Molecular Weight364.47 g/mol
Exact Mass364.14
IUPAC Name1-[6-(6-methyl-2-pyridinyl)-5-(3-methylsulfanylphenyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone
SMILESCSc1cccc(-c2c(-c3cccc(C)n3)nc3n2CCN3C(C)=O)c1
InChIInChI=1S/C20H20N4OS/c1-13-6-4-9-17(21-13)18-19(15-7-5-8-16(12-15)26-3)24-11-10-23(14(2)25)20(24)22-18/h4-9,12H,10-11H2,1-3H3
InChIKeySPZLQIYDRPUHQM-UHFFFAOYSA-N
XLogP4.01
TPSA51.02 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.47
LogP ≤ 54.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[6-(6-methyl-2-pyridinyl)-5-(3-methylsulfanylphenyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone?
The IUPAC name of 1-[6-(6-methyl-2-pyridinyl)-5-(3-methylsulfanylphenyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone (CID 170341040) is 1-[6-(6-methyl-2-pyridinyl)-5-(3-methylsulfanylphenyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone.
What is the SMILES notation for 1-[6-(6-methyl-2-pyridinyl)-5-(3-methylsulfanylphenyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone?
The canonical SMILES for 1-[6-(6-methyl-2-pyridinyl)-5-(3-methylsulfanylphenyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone is CSc1cccc(-c2c(-c3cccc(C)n3)nc3n2CCN3C(C)=O)c1.
What is the InChIKey of 1-[6-(6-methyl-2-pyridinyl)-5-(3-methylsulfanylphenyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone?
The InChIKey is SPZLQIYDRPUHQM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4OS/c1-13-6-4-9-17(21-13)18-19(15-7-5-8-16(12-15)26-3)24-11-10-23(14(2)25)20(24)22-18/h4-9,12H,10-11H2,1-3H3.
What are the key properties of 1-[6-(6-methyl-2-pyridinyl)-5-(3-methylsulfanylphenyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone?
1-[6-(6-methyl-2-pyridinyl)-5-(3-methylsulfanylphenyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone has a molecular weight of 364.47 g/mol, XLogP of 4.01, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[6-(6-methyl-2-pyridinyl)-5-(3-methylsulfanylphenyl)-2,3-dihydroimidazo[1,2-a]imidazol-1-yl]ethanone is sourced from PubChem (CID 170341040), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).