1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone

C13H14N2OS — CID 65141818

IUPAC1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone
SMILESCCn1ccnc1C(=O)CSc1ccccc1
InChIInChI=1S/C13H14N2OS/c1-2-15-9-8-14-13(15)12(16)10-17-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyDIPKRNVZEOCHJU-UHFFFAOYSA-N
MW246.34 g/mol
LogP2.88
Rot. Bonds5

About 1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone

1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone (PubChem CID 65141818) has the molecular formula C13H14N2OS and a molecular weight of 246.34 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone
PubChem CID65141818
Molecular FormulaC13H14N2OS
Molecular Weight246.34 g/mol
Exact Mass246.08
IUPAC Name1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone
SMILESCCn1ccnc1C(=O)CSc1ccccc1
InChIInChI=1S/C13H14N2OS/c1-2-15-9-8-14-13(15)12(16)10-17-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3
InChIKeyDIPKRNVZEOCHJU-UHFFFAOYSA-N
XLogP2.88
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.34
LogP ≤ 52.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-(3-bromophenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethanone
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1-(1-ethylimidazol-2-yl)-2-phenylbutan-1-one
CID 114972994
2-(1-ethylimidazol-2-yl)-2-oxoacetic acid
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1-(1-ethylimidazol-2-yl)-2-methyl-2-phenylpropan-1-one
CID 63975640
1-(1-ethylimidazol-2-yl)-2-(4-methylphenyl)ethanone
CID 63975424
(1-ethylimidazol-2-yl)-(2-methylphenyl)methanone
CID 61316085
1-(1-ethylimidazol-2-yl)-3-(methylamino)propan-1-one
CID 116561163
1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol
CID 79752865
4-amino-1-(1-ethylimidazol-2-yl)-4-methylpentan-1-one
CID 116571399
3-(4-aminophenyl)-1-(1-ethylimidazol-2-yl)butan-1-one
CID 116612792
2-(3-bromophenyl)sulfanyl-1-(1-methylimidazol-2-yl)ethanone
CID 66144131
3-ethyl-2-(2-phenylsulfanylacetyl)quinazolin-4-one
CID 23799960

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone (CID 65141818) is 1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone is CCn1ccnc1C(=O)CSc1ccccc1.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone?
The InChIKey is DIPKRNVZEOCHJU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2OS/c1-2-15-9-8-14-13(15)12(16)10-17-11-6-4-3-5-7-11/h3-9H,2,10H2,1H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone?
1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone has a molecular weight of 246.34 g/mol, XLogP of 2.88, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-2-phenylsulfanylethanone is sourced from PubChem (CID 65141818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).