1-(4-phenylpiperazin-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone

C24H28N4OS — CID 43018705

IUPAC1-(4-phenylpiperazin-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone
SMILESCC(C)c1ccccc1-n1ccnc1SCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H28N4OS/c1-19(2)21-10-6-7-11-22(21)28-13-12-25-24(28)30-18-23(29)27-16-14-26(15-17-27)20-8-4-3-5-9-20/h3-13,19H,14-18H2,1-2H3
InChIKeyMEMQFHSCQSGCFN-UHFFFAOYSA-N
MW420.58 g/mol
LogP4.44
Rot. Bonds6

About 1-(4-phenylpiperazin-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone

1-(4-phenylpiperazin-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone (PubChem CID 43018705) has the molecular formula C24H28N4OS and a molecular weight of 420.58 g/mol. Its IUPAC name is 1-(4-phenylpiperazin-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone.

Molecular Properties

Compound Name1-(4-phenylpiperazin-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone
PubChem CID43018705
Molecular FormulaC24H28N4OS
Molecular Weight420.58 g/mol
Exact Mass420.20
IUPAC Name1-(4-phenylpiperazin-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone
SMILESCC(C)c1ccccc1-n1ccnc1SCC(=O)N1CCN(c2ccccc2)CC1
InChIInChI=1S/C24H28N4OS/c1-19(2)21-10-6-7-11-22(21)28-13-12-25-24(28)30-18-23(29)27-16-14-26(15-17-27)20-8-4-3-5-9-20/h3-13,19H,14-18H2,1-2H3
InChIKeyMEMQFHSCQSGCFN-UHFFFAOYSA-N
XLogP4.44
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.58
LogP ≤ 54.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[4-(4-acetyl-2-fluorophenyl)piperazin-1-yl]-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone
CID 46669876
2-[1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 40684880
2-[1-(4-propan-2-ylphenyl)imidazol-2-yl]sulfanyl-1-(4-pyridin-1-ium-4-ylpiperazin-1-yl)ethanone
CID 9255426
2-(1-benzylimidazol-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 9267787
2-(1-methyl-5-phenylimidazol-2-yl)sulfanyl-1-(4-phenylpiperazin-1-yl)ethanone
CID 18569104
2-[1-(2,5-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[4-(3-hydroxyphenyl)piperazin-1-yl]ethanone
CID 112800561
2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanol
CID 47024738
1-(4-benzoylpiperazin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 39757846
2-[1-(2-methylphenyl)imidazol-2-yl]sulfanyl-1-[4-(2-methylsulfonylethyl)piperazin-1-yl]ethanone
CID 56572191
(2R)-2-phenyl-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetamide
CID 41434250
2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylacetonitrile
CID 134010477
2-[[2-(4-hydroxyphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-phenylpiperazin-1-yl)ethanone
CID 4612765

Frequently Asked Questions

What is the IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone?
The IUPAC name of 1-(4-phenylpiperazin-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone (CID 43018705) is 1-(4-phenylpiperazin-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone.
What is the SMILES notation for 1-(4-phenylpiperazin-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone?
The canonical SMILES for 1-(4-phenylpiperazin-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone is CC(C)c1ccccc1-n1ccnc1SCC(=O)N1CCN(c2ccccc2)CC1.
What is the InChIKey of 1-(4-phenylpiperazin-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone?
The InChIKey is MEMQFHSCQSGCFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N4OS/c1-19(2)21-10-6-7-11-22(21)28-13-12-25-24(28)30-18-23(29)27-16-14-26(15-17-27)20-8-4-3-5-9-20/h3-13,19H,14-18H2,1-2H3.
What are the key properties of 1-(4-phenylpiperazin-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone?
1-(4-phenylpiperazin-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone has a molecular weight of 420.58 g/mol, XLogP of 4.44, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-phenylpiperazin-1-yl)-2-[1-(2-propan-2-ylphenyl)imidazol-2-yl]sulfanylethanone is sourced from PubChem (CID 43018705), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).