4-[(2-methylsulfonylimidazol-1-yl)methyl]pyridine

C10H11N3O2S — CID 71998380

IUPAC4-[(2-methylsulfonylimidazol-1-yl)methyl]pyridine
SMILESCS(=O)(=O)c1nccn1Cc1ccncc1
InChIInChI=1S/C10H11N3O2S/c1-16(14,15)10-12-6-7-13(10)8-9-2-4-11-5-3-9/h2-7H,8H2,1H3
InChIKeyHKPWYONRHNKYOW-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.73
Rot. Bonds3

About 4-[(2-methylsulfonylimidazol-1-yl)methyl]pyridine

4-[(2-methylsulfonylimidazol-1-yl)methyl]pyridine (PubChem CID 71998380) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 4-[(2-methylsulfonylimidazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name4-[(2-methylsulfonylimidazol-1-yl)methyl]pyridine
PubChem CID71998380
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name4-[(2-methylsulfonylimidazol-1-yl)methyl]pyridine
SMILESCS(=O)(=O)c1nccn1Cc1ccncc1
InChIInChI=1S/C10H11N3O2S/c1-16(14,15)10-12-6-7-13(10)8-9-2-4-11-5-3-9/h2-7H,8H2,1H3
InChIKeyHKPWYONRHNKYOW-UHFFFAOYSA-N
XLogP0.73
TPSA64.85 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.73
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

[2-(1H-imidazol-1-yl)pyridin-4-yl]methanamine
CID 16782615
Pyridine, 3-(1-methyl-1H-imidazol-4-yl)-
CID 11344157
4-[(2-Methyl-1H-imidazol-1-yl)methyl]pyridine
CID 52949342
3-(1-Ethyl-1H-imidazol-4-yl)pyridine
CID 11480732
4-((1H-imidazol-1-yl)methyl)pyridine
CID 14424120
3-(1-Imidazolylmethyl)pyridine
CID 16654684
2-Fluoro-5-(imidazol-1-ylmethyl)pyridine
CID 71716351
Dimethyl-{2-[1-(4-methyl-pyridin-2-yl)-1H-imidazole-2-sulfinylmethyl]-phenyl}-amine
CID 10569163
Pyrimidoxime
CID 135517418
3-[(1-Methyl-4,5-diphenylimidazol-2-yl)sulfonylmethyl]pyridine
CID 72164161
6-[(1-methyl-1H-imidazol-2-yl)sulfanyl]-3-pyridinesulfonamide
CID 902035
N,N-dimethyl-2-[(1-pyridin-3-ylimidazol-2-yl)sulfinylmethyl]aniline
CID 10520191

Frequently Asked Questions

What is the IUPAC name of 4-[(2-methylsulfonylimidazol-1-yl)methyl]pyridine?
The IUPAC name of 4-[(2-methylsulfonylimidazol-1-yl)methyl]pyridine (CID 71998380) is 4-[(2-methylsulfonylimidazol-1-yl)methyl]pyridine.
What is the SMILES notation for 4-[(2-methylsulfonylimidazol-1-yl)methyl]pyridine?
The canonical SMILES for 4-[(2-methylsulfonylimidazol-1-yl)methyl]pyridine is CS(=O)(=O)c1nccn1Cc1ccncc1.
What is the InChIKey of 4-[(2-methylsulfonylimidazol-1-yl)methyl]pyridine?
The InChIKey is HKPWYONRHNKYOW-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c1-16(14,15)10-12-6-7-13(10)8-9-2-4-11-5-3-9/h2-7H,8H2,1H3.
What are the key properties of 4-[(2-methylsulfonylimidazol-1-yl)methyl]pyridine?
4-[(2-methylsulfonylimidazol-1-yl)methyl]pyridine has a molecular weight of 237.28 g/mol, XLogP of 0.73, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-methylsulfonylimidazol-1-yl)methyl]pyridine is sourced from PubChem (CID 71998380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).