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

C15H19N3O3S — CID 110872691

IUPAC5-(4-methoxy-2-methylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCc3ncn(C)c3C2)c(C)c1
InChIInChI=1S/C15H19N3O3S/c1-11-8-12(21-3)4-5-15(11)22(19,20)18-7-6-13-14(9-18)17(2)10-16-13/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyBAKGKBBPZDYBIZ-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.48
Rot. Bonds3

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

5-(4-methoxy-2-methylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 110872691) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 5-(4-methoxy-2-methylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-(4-methoxy-2-methylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID110872691
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name5-(4-methoxy-2-methylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCOc1ccc(S(=O)(=O)N2CCc3ncn(C)c3C2)c(C)c1
InChIInChI=1S/C15H19N3O3S/c1-11-8-12(21-3)4-5-15(11)22(19,20)18-7-6-13-14(9-18)17(2)10-16-13/h4-5,8,10H,6-7,9H2,1-3H3
InChIKeyBAKGKBBPZDYBIZ-UHFFFAOYSA-N
XLogP1.48
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4-methoxy-2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872816
5-(4-ethoxy-2,5-dimethylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872718
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
5-(benzenesulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872676
5-(1,3-benzodioxol-5-ylsulfonyl)-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872696
5-(2-methylphenyl)sulfonyl-3-propan-2-yl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 110872831
4-(4-methoxy-2-methylphenyl)sulfonyl-2,6-dimethylmorpholine
CID 47304289
1-(4-methoxy-2-methylphenyl)sulfonyl-3-methylpiperazine
CID 119981951
1-(4-methoxy-2-methylphenyl)sulfonyl-4-(2-methylphenyl)piperazine
CID 113075257
(4-methoxyphenyl)-(3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl)methanone
CID 110872625
2-(2,4-dimethylphenyl)sulfonyl-8-methoxy-1,3,4,5-tetrahydropyrido[4,3-b]indole
CID 113089358

Frequently Asked Questions

What is the IUPAC name of 5-(4-methoxy-2-methylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 5-(4-methoxy-2-methylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 110872691) is 5-(4-methoxy-2-methylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 5-(4-methoxy-2-methylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 5-(4-methoxy-2-methylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is COc1ccc(S(=O)(=O)N2CCc3ncn(C)c3C2)c(C)c1.
What is the InChIKey of 5-(4-methoxy-2-methylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is BAKGKBBPZDYBIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-11-8-12(21-3)4-5-15(11)22(19,20)18-7-6-13-14(9-18)17(2)10-16-13/h4-5,8,10H,6-7,9H2,1-3H3.
What are the key properties of 5-(4-methoxy-2-methylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
5-(4-methoxy-2-methylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 321.40 g/mol, XLogP of 1.48, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-methoxy-2-methylphenyl)sulfonyl-3-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 110872691), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).