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

C23H26N4O2S — CID 112800561

IUPAC2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C)c(-n2ccnc2SCC(=O)N2CCN(c3cccc(O)c3)CC2)c1
InChIInChI=1S/C23H26N4O2S/c1-17-6-7-18(2)21(14-17)27-9-8-24-23(27)30-16-22(29)26-12-10-25(11-13-26)19-4-3-5-20(28)15-19/h3-9,14-15,28H,10-13,16H2,1-2H3
InChIKeyBVZXQXXYTKSQQH-UHFFFAOYSA-N
MW422.55 g/mol
LogP3.64
Rot. Bonds5

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

2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone (PubChem CID 112800561) has the molecular formula C23H26N4O2S and a molecular weight of 422.55 g/mol. Its IUPAC name is 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone
PubChem CID112800561
Molecular FormulaC23H26N4O2S
Molecular Weight422.55 g/mol
Exact Mass422.18
IUPAC Name2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone
SMILESCc1ccc(C)c(-n2ccnc2SCC(=O)N2CCN(c3cccc(O)c3)CC2)c1
InChIInChI=1S/C23H26N4O2S/c1-17-6-7-18(2)21(14-17)27-9-8-24-23(27)30-16-22(29)26-12-10-25(11-13-26)19-4-3-5-20(28)15-19/h3-9,14-15,28H,10-13,16H2,1-2H3
InChIKeyBVZXQXXYTKSQQH-UHFFFAOYSA-N
XLogP3.64
TPSA61.60 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500422.55
LogP ≤ 53.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone with MolForge

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Related Compounds

1-(4-phenylpiperazin-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone
CID 43018705
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 40684880
1-[4-(2,5-dimethylphenyl)piperazin-1-yl]-2-(3-hydroxyphenoxy)ethanone
CID 4741117
1-[2-[1-(3-methylphenyl)imidazol-2-yl]sulfanylacetyl]piperidine-4-carboxamide
CID 40665734
N-(3-acetamidophenyl)-2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetamide
CID 7150913
2-[(4-benzyl-5-methyl-1,2,4-triazol-3-yl)sulfanyl]-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone
CID 112800573
1-[2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetyl]-N-(3-methyl-2-pyridinyl)piperidine-3-carboxamide
CID 55957436
2-(1-ethylimidazol-2-yl)sulfanyl-1-[4-[3-(trifluoromethyl)phenyl]piperazin-1-yl]ethanone
CID 55508324
1-(4-benzoylpiperazin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 39757846
[2-(2,4-dihydroxyphenyl)-2-oxoethyl] 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanylacetate
CID 27923163
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-[3-[4-(3-methylphenyl)piperazin-1-yl]propyl]acetamide
CID 55653220
2-[1-(3-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(thiophen-2-ylmethyl)piperazin-1-yl]ethanone
CID 38014286

Frequently Asked Questions

What is the IUPAC name of 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone?
The IUPAC name of 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone (CID 112800561) is 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone.
What is the SMILES notation for 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone?
The canonical SMILES for 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone is Cc1ccc(C)c(-n2ccnc2SCC(=O)N2CCN(c3cccc(O)c3)CC2)c1.
What is the InChIKey of 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone?
The InChIKey is BVZXQXXYTKSQQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H26N4O2S/c1-17-6-7-18(2)21(14-17)27-9-8-24-23(27)30-16-22(29)26-12-10-25(11-13-26)19-4-3-5-20(28)15-19/h3-9,14-15,28H,10-13,16H2,1-2H3.
What are the key properties of 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone?
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone has a molecular weight of 422.55 g/mol, XLogP of 3.64, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone is sourced from PubChem (CID 112800561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).