3-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C16H21N3O2S — CID 110872686

IUPAC3-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCc1cc(C)c(S(=O)(=O)N2CCc3ncn(C)c3C2)c(C)c1
InChIInChI=1S/C16H21N3O2S/c1-11-7-12(2)16(13(3)8-11)22(20,21)19-6-5-14-15(9-19)18(4)10-17-14/h7-8,10H,5-6,9H2,1-4H3
InChIKeyCBJVHRMZKDQELG-UHFFFAOYSA-N
MW319.43 g/mol
LogP2.09
Rot. Bonds2

About 3-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

3-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 110872686) has the molecular formula C16H21N3O2S and a molecular weight of 319.43 g/mol. Its IUPAC name is 3-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID110872686
Molecular FormulaC16H21N3O2S
Molecular Weight319.43 g/mol
Exact Mass319.14
IUPAC Name3-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCc1cc(C)c(S(=O)(=O)N2CCc3ncn(C)c3C2)c(C)c1
InChIInChI=1S/C16H21N3O2S/c1-11-7-12(2)16(13(3)8-11)22(20,21)19-6-5-14-15(9-19)18(4)10-17-14/h7-8,10H,5-6,9H2,1-4H3
InChIKeyCBJVHRMZKDQELG-UHFFFAOYSA-N
XLogP2.09
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.43
LogP ≤ 52.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872676
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
1-(2,4,6-trimethylphenyl)sulfonylpyrrolidin-3-one
CID 82134022
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
1-methyl-4-(2,4,6-trimethylphenyl)sulfonylpiperazin-2-one
CID 110708137
2-(4-methoxyphenyl)-6-(2,4,6-trimethylphenyl)sulfonyl-3,5,7,8-tetrahydropyrido[4,3-d]pyrimidin-4-one
CID 135464032
2-[1-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-pyrazolo[4,3-c]pyridin-3-yl]-5-phenyl-1,3,4-oxadiazole
CID 53019126
4-(2,4,6-trimethylphenyl)sulfonyl-1,4-diazepan-2-one
CID 62896505
5-[(3,5-dimethyl-1H-pyrazol-4-yl)sulfonyl]-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872829
N-[5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-[1,3]thiazolo[5,4-c]pyridin-2-yl]thiophene-3-carboxamide
CID 90532286

Frequently Asked Questions

What is the IUPAC name of 3-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 3-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 110872686) is 3-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 3-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is Cc1cc(C)c(S(=O)(=O)N2CCc3ncn(C)c3C2)c(C)c1.
What is the InChIKey of 3-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is CBJVHRMZKDQELG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3O2S/c1-11-7-12(2)16(13(3)8-11)22(20,21)19-6-5-14-15(9-19)18(4)10-17-14/h7-8,10H,5-6,9H2,1-4H3.
What are the key properties of 3-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
3-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 319.43 g/mol, XLogP of 2.09, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 110872686), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).