6-(ethoxymethyl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

C12H21N3O3S — CID 131696107

IUPAC6-(ethoxymethyl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOCC1Cc2c(ncn2C)CN1S(=O)(=O)CC
InChIInChI=1S/C12H21N3O3S/c1-4-18-8-10-6-12-11(13-9-14(12)3)7-15(10)19(16,17)5-2/h9-10H,4-8H2,1-3H3
InChIKeyRYHSVSDGFPUIDE-UHFFFAOYSA-N
MW287.38 g/mol
LogP0.53
Rot. Bonds5

About 6-(ethoxymethyl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine

6-(ethoxymethyl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (PubChem CID 131696107) has the molecular formula C12H21N3O3S and a molecular weight of 287.38 g/mol. Its IUPAC name is 6-(ethoxymethyl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name6-(ethoxymethyl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
PubChem CID131696107
Molecular FormulaC12H21N3O3S
Molecular Weight287.38 g/mol
Exact Mass287.13
IUPAC Name6-(ethoxymethyl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
SMILESCCOCC1Cc2c(ncn2C)CN1S(=O)(=O)CC
InChIInChI=1S/C12H21N3O3S/c1-4-18-8-10-6-12-11(13-9-14(12)3)7-15(10)19(16,17)5-2/h9-10H,4-8H2,1-3H3
InChIKeyRYHSVSDGFPUIDE-UHFFFAOYSA-N
XLogP0.53
TPSA64.43 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.38
LogP ≤ 50.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

6-(methoxymethyl)-1-methyl-5-pyridin-3-ylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 131695597
[6-(ethoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]-quinolin-4-ylmethanone
CID 131696078
[5-(2-chlorophenyl)sulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methanol
CID 131695843
N,N-dimethyl-2-[[1-methyl-5-[(5-methyl-1,2-oxazol-3-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methoxy]acetamide
CID 131696041
(7R)-7-(ethoxymethyl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-pyrazolo[4,5-c]pyridine
CID 97382742
5-cyclobutyl-1-methyl-6-[(5-methylpyrimidin-2-yl)oxymethyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 131696091
N-[[5-[(2,5-dimethylpyrazol-3-yl)methyl]-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methyl]methanesulfonamide
CID 131695615
2-(2,3-dihydro-1H-inden-2-yl)-1-[6-(methoxymethyl)-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]ethanone
CID 131696067
[1-methyl-5-[(1-methylpyrazol-4-yl)methyl]-6,7-dihydro-4H-imidazo[4,5-c]pyridin-6-yl]methanol
CID 131695725
propan-2-yl N-[4-[4-[[(6S)-1,6-dimethyl-6,7-dihydro-4H-imidazo[4,5-c]pyridin-5-yl]sulfonyl]phenyl]phenyl]carbamate
CID 89490428
1,5,6-trimethyl-4,5,6,7-tetrahydrobenzimidazole
CID 126996535
7-(cyclopropylmethoxymethyl)-1-(cyclopropylmethyl)-5-ethylsulfonyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine
CID 118743206

Frequently Asked Questions

What is the IUPAC name of 6-(ethoxymethyl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The IUPAC name of 6-(ethoxymethyl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine (CID 131696107) is 6-(ethoxymethyl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine.
What is the SMILES notation for 6-(ethoxymethyl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The canonical SMILES for 6-(ethoxymethyl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is CCOCC1Cc2c(ncn2C)CN1S(=O)(=O)CC.
What is the InChIKey of 6-(ethoxymethyl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
The InChIKey is RYHSVSDGFPUIDE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H21N3O3S/c1-4-18-8-10-6-12-11(13-9-14(12)3)7-15(10)19(16,17)5-2/h9-10H,4-8H2,1-3H3.
What are the key properties of 6-(ethoxymethyl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine?
6-(ethoxymethyl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine has a molecular weight of 287.38 g/mol, XLogP of 0.53, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(ethoxymethyl)-5-ethylsulfonyl-1-methyl-6,7-dihydro-4H-imidazo[4,5-c]pyridine is sourced from PubChem (CID 131696107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).