3-[(4-methylsulfonylphenyl)methyl]-1H-imidazo[4,5-c]pyridin-2-one

C14H13N3O3S — CID 18334864

IUPAC3-[(4-methylsulfonylphenyl)methyl]-1H-imidazo[4,5-c]pyridin-2-one
SMILESCS(=O)(=O)c1ccc(Cn2c(=O)[nH]c3ccncc32)cc1
InChIInChI=1S/C14H13N3O3S/c1-21(19,20)11-4-2-10(3-5-11)9-17-13-8-15-7-6-12(13)16-14(17)18/h2-8H,9H2,1H3,(H,16,18)
InChIKeySEPQOUYVXVIUMA-UHFFFAOYSA-N
MW303.34 g/mol
LogP1.18
Rot. Bonds3

About 3-[(4-methylsulfonylphenyl)methyl]-1H-imidazo[4,5-c]pyridin-2-one

3-[(4-methylsulfonylphenyl)methyl]-1H-imidazo[4,5-c]pyridin-2-one (PubChem CID 18334864) has the molecular formula C14H13N3O3S and a molecular weight of 303.34 g/mol. Its IUPAC name is 3-[(4-methylsulfonylphenyl)methyl]-1H-imidazo[4,5-c]pyridin-2-one.

Molecular Properties

Compound Name3-[(4-methylsulfonylphenyl)methyl]-1H-imidazo[4,5-c]pyridin-2-one
PubChem CID18334864
Molecular FormulaC14H13N3O3S
Molecular Weight303.34 g/mol
Exact Mass303.07
IUPAC Name3-[(4-methylsulfonylphenyl)methyl]-1H-imidazo[4,5-c]pyridin-2-one
SMILESCS(=O)(=O)c1ccc(Cn2c(=O)[nH]c3ccncc32)cc1
InChIInChI=1S/C14H13N3O3S/c1-21(19,20)11-4-2-10(3-5-11)9-17-13-8-15-7-6-12(13)16-14(17)18/h2-8H,9H2,1H3,(H,16,18)
InChIKeySEPQOUYVXVIUMA-UHFFFAOYSA-N
XLogP1.18
TPSA84.82 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.34
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(4-methylsulfonylphenyl)methyl]-1H-imidazo[4,5-c]pyridin-2-one?
The IUPAC name of 3-[(4-methylsulfonylphenyl)methyl]-1H-imidazo[4,5-c]pyridin-2-one (CID 18334864) is 3-[(4-methylsulfonylphenyl)methyl]-1H-imidazo[4,5-c]pyridin-2-one.
What is the SMILES notation for 3-[(4-methylsulfonylphenyl)methyl]-1H-imidazo[4,5-c]pyridin-2-one?
The canonical SMILES for 3-[(4-methylsulfonylphenyl)methyl]-1H-imidazo[4,5-c]pyridin-2-one is CS(=O)(=O)c1ccc(Cn2c(=O)[nH]c3ccncc32)cc1.
What is the InChIKey of 3-[(4-methylsulfonylphenyl)methyl]-1H-imidazo[4,5-c]pyridin-2-one?
The InChIKey is SEPQOUYVXVIUMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13N3O3S/c1-21(19,20)11-4-2-10(3-5-11)9-17-13-8-15-7-6-12(13)16-14(17)18/h2-8H,9H2,1H3,(H,16,18).
What are the key properties of 3-[(4-methylsulfonylphenyl)methyl]-1H-imidazo[4,5-c]pyridin-2-one?
3-[(4-methylsulfonylphenyl)methyl]-1H-imidazo[4,5-c]pyridin-2-one has a molecular weight of 303.34 g/mol, XLogP of 1.18, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4-methylsulfonylphenyl)methyl]-1H-imidazo[4,5-c]pyridin-2-one is sourced from PubChem (CID 18334864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).