5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C13H15N3O2S — CID 110872676

IUPAC5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1cnc2c1CN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C13H15N3O2S/c1-15-10-14-12-7-8-16(9-13(12)15)19(17,18)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyAYXWJZMBCPCUNR-UHFFFAOYSA-N
MW277.35 g/mol
LogP1.17
Rot. Bonds2

About 5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 110872676) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is 5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID110872676
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Name5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCn1cnc2c1CN(S(=O)(=O)c1ccccc1)CC2
InChIInChI=1S/C13H15N3O2S/c1-15-10-14-12-7-8-16(9-13(12)15)19(17,18)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3
InChIKeyAYXWJZMBCPCUNR-UHFFFAOYSA-N
XLogP1.17
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 51.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(2-chlorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872730
5-(1,3-benzodioxol-5-ylsulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872696
3-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872686
5-(4-methoxy-2-methylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872691
5-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872718
5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872831
2-(1-methylbenzimidazol-5-yl)sulfonyl-3,4-dihydro-1H-isoquinoline
CID 110760272
5-(2-chlorophenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872833
5-(benzenesulfonyl)-1-methyl-3-(phenylmethoxymethyl)-6,7-dihydro-4H-pyrazolo[4,3-c]pyridine
CID 50832764
1-(benzenesulfonyl)-4-(3-methyl-5-nitroimidazol-4-yl)piperazine
CID 18199910
6-(4-fluorophenyl)sulfonyl-7,8-dihydro-5H-1,6-naphthyridine
CID 61045177
6-(4-methylphenyl)sulfonyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 90621137

Frequently Asked Questions

What is the IUPAC name of 5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 110872676) is 5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is Cn1cnc2c1CN(S(=O)(=O)c1ccccc1)CC2.
What is the InChIKey of 5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is AYXWJZMBCPCUNR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-15-10-14-12-7-8-16(9-13(12)15)19(17,18)11-5-3-2-4-6-11/h2-6,10H,7-9H2,1H3.
What are the key properties of 5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 277.35 g/mol, XLogP of 1.17, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 110872676), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).