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

C17H23N3O3S — CID 110872718

IUPAC5-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOc1cc(C)c(S(=O)(=O)N2CCc3ncn(C)c3C2)cc1C
InChIInChI=1S/C17H23N3O3S/c1-5-23-16-8-13(3)17(9-12(16)2)24(21,22)20-7-6-14-15(10-20)19(4)11-18-14/h8-9,11H,5-7,10H2,1-4H3
InChIKeyCMWZATPMMQYQNE-UHFFFAOYSA-N
MW349.46 g/mol
LogP2.18
Rot. Bonds4

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

5-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 110872718) has the molecular formula C17H23N3O3S and a molecular weight of 349.46 g/mol. Its IUPAC name is 5-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID110872718
Molecular FormulaC17H23N3O3S
Molecular Weight349.46 g/mol
Exact Mass349.15
IUPAC Name5-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOc1cc(C)c(S(=O)(=O)N2CCc3ncn(C)c3C2)cc1C
InChIInChI=1S/C17H23N3O3S/c1-5-23-16-8-13(3)17(9-12(16)2)24(21,22)20-7-6-14-15(10-20)19(4)11-18-14/h8-9,11H,5-7,10H2,1-4H3
InChIKeyCMWZATPMMQYQNE-UHFFFAOYSA-N
XLogP2.18
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.46
LogP ≤ 52.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 5-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine with MolForge

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Related Compounds

5-(4-methoxy-2-methylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872691
3-methyl-5-(2,4,6-trimethylphenyl)sulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872686
5-(2-chlorophenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872730
3-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-1,3-oxazinane
CID 110739729
5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872676
1-(2,5-diethoxy-4-methylphenyl)sulfonyl-4-methylpiperazine
CID 6460171
1-(3,4-dichlorophenyl)-4-(4-ethoxy-2,5-dimethylphenyl)sulfonylpiperazine
CID 1287876
1-(5-chloro-4-ethoxy-2-methylphenyl)sulfonyl-4-methylpiperazine
CID 110757988
5-(4-methoxy-2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872816
1-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-2-methylpyrrolidine
CID 110728256
2-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3,6,7,11b-tetrahydro-1H-pyrazino[2,1-a]isoquinolin-4-one
CID 52985592
5-(1,3-benzodioxol-5-ylsulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872696

Frequently Asked Questions

What is the IUPAC name of 5-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 110872718) is 5-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CCOc1cc(C)c(S(=O)(=O)N2CCc3ncn(C)c3C2)cc1C.
What is the InChIKey of 5-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is CMWZATPMMQYQNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N3O3S/c1-5-23-16-8-13(3)17(9-12(16)2)24(21,22)20-7-6-14-15(10-20)19(4)11-18-14/h8-9,11H,5-7,10H2,1-4H3.
What are the key properties of 5-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
5-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 349.46 g/mol, XLogP of 2.18, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 110872718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).