1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone

C12H14N2O2S — CID 4178401

IUPAC1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone
SMILESCSC1=NCCN1C(=O)COc1ccccc1
InChIInChI=1S/C12H14N2O2S/c1-17-12-13-7-8-14(12)11(15)9-16-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyVZPMYINTAPHAAE-UHFFFAOYSA-N
MW250.32 g/mol
LogP1.63
Rot. Bonds3

About 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone

1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone (PubChem CID 4178401) has the molecular formula C12H14N2O2S and a molecular weight of 250.32 g/mol. Its IUPAC name is 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone.

Molecular Properties

Compound Name1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone
PubChem CID4178401
Molecular FormulaC12H14N2O2S
Molecular Weight250.32 g/mol
Exact Mass250.08
IUPAC Name1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone
SMILESCSC1=NCCN1C(=O)COc1ccccc1
InChIInChI=1S/C12H14N2O2S/c1-17-12-13-7-8-14(12)11(15)9-16-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3
InChIKeyVZPMYINTAPHAAE-UHFFFAOYSA-N
XLogP1.63
TPSA41.90 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.32
LogP ≤ 51.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(aziridin-1-yl)-2-phenoxyethanone
CID 3053844
2-(2,4-dichlorophenoxy)-1-(2-methylsulfanyl-5,6-dihydro-4H-pyrimidin-1-yl)ethanone
CID 134118294
2-(3-fluorophenoxy)-1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)propan-1-one
CID 71977634
1-(1-methyl-2,3-dihydropyrazino[2,3-b]quinoxalin-4-yl)-2-phenoxyethanone
CID 16623303
1-(1-methyl-3,4-dihydro-2H-1,5-benzodiazepin-5-yl)-2-phenoxyethanone
CID 136526912
1-(2,3-dihydroindol-1-yl)-2-(4-methylsulfanylphenoxy)ethanone
CID 895153
2-naphthalen-2-yloxy-1-[2-[[3-(trifluoromethyl)phenyl]methylsulfanyl]-4,5-dihydroimidazol-1-yl]ethanone
CID 3633687
1-[(3S,5S)-3,5-dimethylpiperidin-1-yl]-2-phenoxyethanone
CID 670243
1-(4-ethyl-2,3-dihydropyrido[2,3-b]pyrazin-1-yl)-2-phenoxyethanone
CID 53071925
ethyl 4-(2-phenoxyacetyl)piperazine-1-carboxylate
CID 807888
3-(4-fluorophenyl)-2-methyl-1-[4-(2-phenoxyacetyl)piperazin-1-yl]propan-1-one
CID 110352181
1-(2-methyl-3,4-dihydro-2H-1,5-benzothiazepin-5-yl)-2-phenoxyethanone
CID 112781425

Frequently Asked Questions

What is the IUPAC name of 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone?
The IUPAC name of 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone (CID 4178401) is 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone.
What is the SMILES notation for 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone?
The canonical SMILES for 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone is CSC1=NCCN1C(=O)COc1ccccc1.
What is the InChIKey of 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone?
The InChIKey is VZPMYINTAPHAAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H14N2O2S/c1-17-12-13-7-8-14(12)11(15)9-16-10-5-3-2-4-6-10/h2-6H,7-9H2,1H3.
What are the key properties of 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone?
1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone has a molecular weight of 250.32 g/mol, XLogP of 1.63, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylsulfanyl-4,5-dihydroimidazol-1-yl)-2-phenoxyethanone is sourced from PubChem (CID 4178401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).