5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

C15H19N3O3S — CID 72922947

IUPAC5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)N1CCc2nc(-c3cccc(OC)c3)[nH]c2C1
InChIInChI=1S/C15H19N3O3S/c1-3-22(19,20)18-8-7-13-14(10-18)17-15(16-13)11-5-4-6-12(9-11)21-2/h4-6,9H,3,7-8,10H2,1-2H3,(H,16,17)
InChIKeyBSUIUYCHOUNMEE-UHFFFAOYSA-N
MW321.40 g/mol
LogP1.79
Rot. Bonds4

About 5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine

5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (PubChem CID 72922947) has the molecular formula C15H19N3O3S and a molecular weight of 321.40 g/mol. Its IUPAC name is 5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
PubChem CID72922947
Molecular FormulaC15H19N3O3S
Molecular Weight321.40 g/mol
Exact Mass321.11
IUPAC Name5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
SMILESCCS(=O)(=O)N1CCc2nc(-c3cccc(OC)c3)[nH]c2C1
InChIInChI=1S/C15H19N3O3S/c1-3-22(19,20)18-8-7-13-14(10-18)17-15(16-13)11-5-4-6-12(9-11)21-2/h4-6,9H,3,7-8,10H2,1-2H3,(H,16,17)
InChIKeyBSUIUYCHOUNMEE-UHFFFAOYSA-N
XLogP1.79
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.40
LogP ≤ 51.79
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-methoxyphenyl)-5-pyridin-4-yl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 72866371
2-[[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methyl]-5-methyl-1,3,4-oxadiazole
CID 72909849
(2S)-2-hydroxy-1-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-3-phenylpropan-1-one
CID 72844581
2-(3-methoxyphenyl)-5-[(3R)-oxolan-3-yl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 97455433
(2R)-1-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-2-(4-methylpiperazin-1-yl)propan-1-one
CID 97435822
[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]-(3-methyl-1,2-oxazol-5-yl)methanone
CID 72849051
(2,6-difluoro-3-methylphenyl)-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]methanone
CID 72864184
2-(3-methoxyphenyl)-5-[[(2S)-oxan-2-yl]methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 97444031
N-cyclohexyl-2-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide
CID 72844258
N-(furan-2-ylmethyl)-3-[2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl]propanamide
CID 72855610
[3-[5-[(2-fluoro-4-methoxyphenyl)methyl]-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-2-yl]phenyl]methanol
CID 91766717
5-[(5-fluoro-2-methoxyphenyl)methyl]-2-(3-fluorophenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine
CID 74244350

Frequently Asked Questions

What is the IUPAC name of 5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The IUPAC name of 5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine (CID 72922947) is 5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The canonical SMILES for 5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is CCS(=O)(=O)N1CCc2nc(-c3cccc(OC)c3)[nH]c2C1.
What is the InChIKey of 5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
The InChIKey is BSUIUYCHOUNMEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O3S/c1-3-22(19,20)18-8-7-13-14(10-18)17-15(16-13)11-5-4-6-12(9-11)21-2/h4-6,9H,3,7-8,10H2,1-2H3,(H,16,17).
What are the key properties of 5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine?
5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine has a molecular weight of 321.40 g/mol, XLogP of 1.79, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethylsulfonyl-2-(3-methoxyphenyl)-3,4,6,7-tetrahydroimidazo[4,5-c]pyridine is sourced from PubChem (CID 72922947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).