1-ethylsulfonyl-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperazine

C17H24N4O2S — CID 75438529

IUPAC1-ethylsulfonyl-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperazine
SMILESCCS(=O)(=O)N1CCN(Cc2cnc(C)n2-c2ccccc2)CC1
InChIInChI=1S/C17H24N4O2S/c1-3-24(22,23)20-11-9-19(10-12-20)14-17-13-18-15(2)21(17)16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3
InChIKeyATBUQVNQKDZTJB-UHFFFAOYSA-N
MW348.47 g/mol
LogP1.65
Rot. Bonds5

About 1-ethylsulfonyl-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperazine

1-ethylsulfonyl-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperazine (PubChem CID 75438529) has the molecular formula C17H24N4O2S and a molecular weight of 348.47 g/mol. Its IUPAC name is 1-ethylsulfonyl-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperazine.

Molecular Properties

Compound Name1-ethylsulfonyl-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperazine
PubChem CID75438529
Molecular FormulaC17H24N4O2S
Molecular Weight348.47 g/mol
Exact Mass348.16
IUPAC Name1-ethylsulfonyl-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperazine
SMILESCCS(=O)(=O)N1CCN(Cc2cnc(C)n2-c2ccccc2)CC1
InChIInChI=1S/C17H24N4O2S/c1-3-24(22,23)20-11-9-19(10-12-20)14-17-13-18-15(2)21(17)16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3
InChIKeyATBUQVNQKDZTJB-UHFFFAOYSA-N
XLogP1.65
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.47
LogP ≤ 51.65
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-5-[(3-methylsulfonylazetidin-1-yl)methyl]-1-phenylimidazole
CID 126816677
1-ethylsulfonyl-4-[(2-methylphenyl)methyl]piperazine
CID 770603
5-methyl-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperidine-3-carboxylic acid
CID 122125379
1-[1-[(2-methyl-3-phenylimidazol-4-yl)methyl]pyrrolidin-3-yl]piperazine
CID 120967486
(3R)-1-[(2-methyl-3-phenylimidazol-4-yl)methyl]-3-(1H-pyrazol-4-yl)piperidine
CID 97158539
2-[(4-ethylsulfonylpiperazin-1-yl)methyl]-3-(4-methylphenyl)imidazo[4,5-b]pyridine
CID 50830738
1-[(2-methylphenyl)methyl]-4-[(2-methylphenyl)methylsulfonyl]piperazine
CID 110398861
1-[(3-benzyl-2-methylimidazol-4-yl)methyl]-4-methylpiperazine
CID 18685205
1-[(4-ethylphenyl)methyl]-4-ethylsulfonylpiperazine
CID 770584
1-[(2-methylphenyl)methyl]-4-propylsulfonylpiperazine;oxalic acid
CID 90483955
4-iodo-N-[(2-methyl-3-phenylimidazol-4-yl)methyl]aniline
CID 79178654
(2-methyl-3-phenylimidazol-4-yl)methyl 3-fluorocyclobutane-1-carboxylate
CID 166262174

Frequently Asked Questions

What is the IUPAC name of 1-ethylsulfonyl-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperazine?
The IUPAC name of 1-ethylsulfonyl-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperazine (CID 75438529) is 1-ethylsulfonyl-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperazine.
What is the SMILES notation for 1-ethylsulfonyl-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperazine?
The canonical SMILES for 1-ethylsulfonyl-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperazine is CCS(=O)(=O)N1CCN(Cc2cnc(C)n2-c2ccccc2)CC1.
What is the InChIKey of 1-ethylsulfonyl-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperazine?
The InChIKey is ATBUQVNQKDZTJB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2S/c1-3-24(22,23)20-11-9-19(10-12-20)14-17-13-18-15(2)21(17)16-7-5-4-6-8-16/h4-8,13H,3,9-12,14H2,1-2H3.
What are the key properties of 1-ethylsulfonyl-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperazine?
1-ethylsulfonyl-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperazine has a molecular weight of 348.47 g/mol, XLogP of 1.65, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethylsulfonyl-4-[(2-methyl-3-phenylimidazol-4-yl)methyl]piperazine is sourced from PubChem (CID 75438529), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).