2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone

C20H27N3OS — CID 46677215

IUPAC2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCc1ccc(-n2ccnc2SCC(=O)N2CC(C)CC(C)C2)cc1C
InChIInChI=1S/C20H27N3OS/c1-14-9-15(2)12-22(11-14)19(24)13-25-20-21-7-8-23(20)18-6-5-16(3)17(4)10-18/h5-8,10,14-15H,9,11-13H2,1-4H3
InChIKeyWYSOFKBXDHIDTE-UHFFFAOYSA-N
MW357.52 g/mol
LogP4.09
Rot. Bonds4

About 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone

2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone (PubChem CID 46677215) has the molecular formula C20H27N3OS and a molecular weight of 357.52 g/mol. Its IUPAC name is 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone.

Molecular Properties

Compound Name2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone
PubChem CID46677215
Molecular FormulaC20H27N3OS
Molecular Weight357.52 g/mol
Exact Mass357.19
IUPAC Name2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone
SMILESCc1ccc(-n2ccnc2SCC(=O)N2CC(C)CC(C)C2)cc1C
InChIInChI=1S/C20H27N3OS/c1-14-9-15(2)12-22(11-14)19(24)13-25-20-21-7-8-23(20)18-6-5-16(3)17(4)10-18/h5-8,10,14-15H,9,11-13H2,1-4H3
InChIKeyWYSOFKBXDHIDTE-UHFFFAOYSA-N
XLogP4.09
TPSA38.13 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.52
LogP ≤ 54.09
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 1-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxylate
CID 40657969
2-[1-(3,4-dimethylphenyl)tetrazol-5-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone
CID 46642344
1-[(2R,6S)-2,6-dimethylmorpholin-4-yl]-2-[1-(3,5-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 40664634
tert-butyl 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetate
CID 134058214
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-propylacetamide
CID 40657989
1-(3,4-dimethylphenyl)-2-prop-2-enylsulfanylimidazole
CID 134042123
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-methyl-N-phenylacetamide
CID 30802029
1-(3,4-dimethoxyphenyl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 33297170
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(pyridin-4-ylmethyl)acetamide
CID 18161956
N'-[2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]pyridine-2-carbohydrazide
CID 18207204
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-[(2R)-2-hydroxy-3-methoxypropyl]piperidin-4-yl]acetamide
CID 97247373
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[1-(2-hydroxy-3-methoxypropyl)piperidin-4-yl]acetamide
CID 75392757

Frequently Asked Questions

What is the IUPAC name of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The IUPAC name of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone (CID 46677215) is 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone.
What is the SMILES notation for 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The canonical SMILES for 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone is Cc1ccc(-n2ccnc2SCC(=O)N2CC(C)CC(C)C2)cc1C.
What is the InChIKey of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone?
The InChIKey is WYSOFKBXDHIDTE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H27N3OS/c1-14-9-15(2)12-22(11-14)19(24)13-25-20-21-7-8-23(20)18-6-5-16(3)17(4)10-18/h5-8,10,14-15H,9,11-13H2,1-4H3.
What are the key properties of 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone?
2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone has a molecular weight of 357.52 g/mol, XLogP of 4.09, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(3,5-dimethylpiperidin-1-yl)ethanone is sourced from PubChem (CID 46677215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).