2-[2-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]ethyl]-1-methylsulfonylpiperidine

C20H29N3O4S — CID 165420343

IUPAC2-[2-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]ethyl]-1-methylsulfonylpiperidine
SMILESCOc1cc(C)cc(-c2nccn2CCC2CCCCN2S(C)(=O)=O)c1OC
InChIInChI=1S/C20H29N3O4S/c1-15-13-17(19(27-3)18(14-15)26-2)20-21-9-12-22(20)11-8-16-7-5-6-10-23(16)28(4,24)25/h9,12-14,16H,5-8,10-11H2,1-4H3
InChIKeyWGURPHRSLARALZ-UHFFFAOYSA-N
MW407.54 g/mol
LogP3.08
Rot. Bonds7

About 2-[2-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]ethyl]-1-methylsulfonylpiperidine

2-[2-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]ethyl]-1-methylsulfonylpiperidine (PubChem CID 165420343) has the molecular formula C20H29N3O4S and a molecular weight of 407.54 g/mol. Its IUPAC name is 2-[2-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]ethyl]-1-methylsulfonylpiperidine.

Molecular Properties

Compound Name2-[2-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]ethyl]-1-methylsulfonylpiperidine
PubChem CID165420343
Molecular FormulaC20H29N3O4S
Molecular Weight407.54 g/mol
Exact Mass407.19
IUPAC Name2-[2-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]ethyl]-1-methylsulfonylpiperidine
SMILESCOc1cc(C)cc(-c2nccn2CCC2CCCCN2S(C)(=O)=O)c1OC
InChIInChI=1S/C20H29N3O4S/c1-15-13-17(19(27-3)18(14-15)26-2)20-21-9-12-22(20)11-8-16-7-5-6-10-23(16)28(4,24)25/h9,12-14,16H,5-8,10-11H2,1-4H3
InChIKeyWGURPHRSLARALZ-UHFFFAOYSA-N
XLogP3.08
TPSA73.66 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.54
LogP ≤ 53.08
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-(2,3-dimethoxy-5-methylphenyl)-1-(oxolan-2-ylmethyl)imidazole;formic acid
CID 171322062
3-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1-methylpyrrolidin-2-one
CID 165422015
3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-4-methyl-1,2,5-oxadiazole
CID 165424669
5-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]-1,3,4-thiadiazol-2-amine
CID 165420254
4-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]-1,3-dimethyl-4,5,6,7-tetrahydroindazole
CID 165427260
2-(2-methoxy-3,5-dimethylphenyl)-1-(oxan-3-ylmethyl)imidazole
CID 56876111
3-[[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]methyl]pyridin-2-amine;formic acid
CID 171712172
(2,3-difluoro-6-methoxyphenyl)-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methanone
CID 70729454
8-methoxy-2-[[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]methyl]quinoline
CID 131921149
4-imidazol-1-yl-6-[2-[(2R)-1-methylsulfonylpyrrolidin-2-yl]ethyl]pyrimidine
CID 95825017
1-(cyclopentylmethyl)-2-(3,4-dimethoxyphenyl)imidazole
CID 165421175
N-(2-methoxyphenyl)-2-[2-[2-(2-methylimidazol-1-yl)ethyl]piperidin-1-yl]acetamide
CID 91832346

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]ethyl]-1-methylsulfonylpiperidine?
The IUPAC name of 2-[2-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]ethyl]-1-methylsulfonylpiperidine (CID 165420343) is 2-[2-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]ethyl]-1-methylsulfonylpiperidine.
What is the SMILES notation for 2-[2-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]ethyl]-1-methylsulfonylpiperidine?
The canonical SMILES for 2-[2-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]ethyl]-1-methylsulfonylpiperidine is COc1cc(C)cc(-c2nccn2CCC2CCCCN2S(C)(=O)=O)c1OC.
What is the InChIKey of 2-[2-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]ethyl]-1-methylsulfonylpiperidine?
The InChIKey is WGURPHRSLARALZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H29N3O4S/c1-15-13-17(19(27-3)18(14-15)26-2)20-21-9-12-22(20)11-8-16-7-5-6-10-23(16)28(4,24)25/h9,12-14,16H,5-8,10-11H2,1-4H3.
What are the key properties of 2-[2-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]ethyl]-1-methylsulfonylpiperidine?
2-[2-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]ethyl]-1-methylsulfonylpiperidine has a molecular weight of 407.54 g/mol, XLogP of 3.08, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-(2,3-dimethoxy-5-methylphenyl)imidazol-1-yl]ethyl]-1-methylsulfonylpiperidine is sourced from PubChem (CID 165420343), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).