(2R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one

C20H28N4OS — CID 30777654

IUPAC(2R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)[C@@H](C)Sc2nccn2-c2cccc(C)c2C)CC1
InChIInChI=1S/C20H28N4OS/c1-5-22-11-13-23(14-12-22)19(25)17(4)26-20-21-9-10-24(20)18-8-6-7-15(2)16(18)3/h6-10,17H,5,11-14H2,1-4H3/t17-/m1/s1
InChIKeyNGYGVMIRJKTSFG-QGZVFWFLSA-N
MW372.54 g/mol
LogP3.13
Rot. Bonds5

About (2R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one

(2R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one (PubChem CID 30777654) has the molecular formula C20H28N4OS and a molecular weight of 372.54 g/mol. Its IUPAC name is (2R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one.

Molecular Properties

Compound Name(2R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one
PubChem CID30777654
Molecular FormulaC20H28N4OS
Molecular Weight372.54 g/mol
Exact Mass372.20
IUPAC Name(2R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one
SMILESCCN1CCN(C(=O)[C@@H](C)Sc2nccn2-c2cccc(C)c2C)CC1
InChIInChI=1S/C20H28N4OS/c1-5-22-11-13-23(14-12-22)19(25)17(4)26-20-21-9-10-24(20)18-8-6-7-15(2)16(18)3/h6-10,17H,5,11-14H2,1-4H3/t17-/m1/s1
InChIKeyNGYGVMIRJKTSFG-QGZVFWFLSA-N
XLogP3.13
TPSA41.37 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.54
LogP ≤ 53.13
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze (2R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one with MolForge

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Related Compounds

1-(4-benzoylpiperazin-1-yl)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylethanone
CID 39757846
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(3-methylbutyl)acetamide
CID 41459858
2-(4,8-dimethylquinolin-2-yl)sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 17432104
1-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-3-(4-ethylphenyl)propan-2-one
CID 163542444
1-(azepan-1-yl)-2-[1-(3,4-dimethylphenyl)imidazol-2-yl]sulfanylpropan-1-one
CID 46617564
2-[[4-ethyl-5-(3-methylphenyl)-1,2,4-triazol-3-yl]sulfanyl]-1-(4-ethylpiperazin-1-yl)propan-1-one
CID 78763341
(2R)-1-(4-ethylpiperazin-1-yl)-2-[[5-(2-methylphenyl)-1,3,4-oxadiazol-2-yl]sulfanyl]propan-1-one
CID 7683111
[4-(2,3-dimethylphenyl)piperazin-1-yl]-(4-ethylpiperazin-1-yl)methanone
CID 108988492
(2S)-N-cyclopropyl-2-[1-(2-methylphenyl)imidazol-2-yl]sulfanylpropanamide
CID 31882004
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-N-(2-methylbutan-2-yl)acetamide
CID 41459961
2-[[(2S)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanylpropanoyl]amino]thiophene-3-carboxamide
CID 40675933
2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-[(2R)-2-methylmorpholin-4-yl]ethanone
CID 41460013

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one?
The IUPAC name of (2R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one (CID 30777654) is (2R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one.
What is the SMILES notation for (2R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one?
The canonical SMILES for (2R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one is CCN1CCN(C(=O)[C@@H](C)Sc2nccn2-c2cccc(C)c2C)CC1.
What is the InChIKey of (2R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one?
The InChIKey is NGYGVMIRJKTSFG-QGZVFWFLSA-N. The full InChI is InChI=1S/C20H28N4OS/c1-5-22-11-13-23(14-12-22)19(25)17(4)26-20-21-9-10-24(20)18-8-6-7-15(2)16(18)3/h6-10,17H,5,11-14H2,1-4H3/t17-/m1/s1.
What are the key properties of (2R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one?
(2R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one has a molecular weight of 372.54 g/mol, XLogP of 3.13, 5 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[1-(2,3-dimethylphenyl)imidazol-2-yl]sulfanyl-1-(4-ethylpiperazin-1-yl)propan-1-one is sourced from PubChem (CID 30777654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).