6-[3-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-pyridin-2-one

C15H13N3OS — CID 71627422

IUPAC6-[3-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-pyridin-2-one
SMILESCn1ccnc1Sc1cccc(-c2cccc(=O)[nH]2)c1
InChIInChI=1S/C15H13N3OS/c1-18-9-8-16-15(18)20-12-5-2-4-11(10-12)13-6-3-7-14(19)17-13/h2-10H,1H3,(H,17,19)
InChIKeyYYWBGPHQPMDZEM-UHFFFAOYSA-N
MW283.36 g/mol
LogP2.93
Rot. Bonds3

About 6-[3-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-pyridin-2-one

6-[3-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-pyridin-2-one (PubChem CID 71627422) has the molecular formula C15H13N3OS and a molecular weight of 283.36 g/mol. Its IUPAC name is 6-[3-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[3-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-pyridin-2-one
PubChem CID71627422
Molecular FormulaC15H13N3OS
Molecular Weight283.36 g/mol
Exact Mass283.08
IUPAC Name6-[3-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-pyridin-2-one
SMILESCn1ccnc1Sc1cccc(-c2cccc(=O)[nH]2)c1
InChIInChI=1S/C15H13N3OS/c1-18-9-8-16-15(18)20-12-5-2-4-11(10-12)13-6-3-7-14(19)17-13/h2-10H,1H3,(H,17,19)
InChIKeyYYWBGPHQPMDZEM-UHFFFAOYSA-N
XLogP2.93
TPSA50.68 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.36
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-[3-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-pyridin-2-one?
The IUPAC name of 6-[3-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-pyridin-2-one (CID 71627422) is 6-[3-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[3-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[3-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-pyridin-2-one is Cn1ccnc1Sc1cccc(-c2cccc(=O)[nH]2)c1.
What is the InChIKey of 6-[3-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-pyridin-2-one?
The InChIKey is YYWBGPHQPMDZEM-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3OS/c1-18-9-8-16-15(18)20-12-5-2-4-11(10-12)13-6-3-7-14(19)17-13/h2-10H,1H3,(H,17,19).
What are the key properties of 6-[3-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-pyridin-2-one?
6-[3-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-pyridin-2-one has a molecular weight of 283.36 g/mol, XLogP of 2.93, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1-methylimidazol-2-yl)sulfanylphenyl]-1H-pyridin-2-one is sourced from PubChem (CID 71627422), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).