1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol

C15H20N2OS — CID 79752637

IUPAC1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol
SMILESCCn1ccnc1CC(O)CSc1ccccc1C
InChIInChI=1S/C15H20N2OS/c1-3-17-9-8-16-15(17)10-13(18)11-19-14-7-5-4-6-12(14)2/h4-9,13,18H,3,10-11H2,1-2H3
InChIKeyGBNXPADBFWTACO-UHFFFAOYSA-N
MW276.40 g/mol
LogP2.91
Rot. Bonds6

About 1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol

1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol (PubChem CID 79752637) has the molecular formula C15H20N2OS and a molecular weight of 276.40 g/mol. Its IUPAC name is 1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol.

Molecular Properties

Compound Name1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol
PubChem CID79752637
Molecular FormulaC15H20N2OS
Molecular Weight276.40 g/mol
Exact Mass276.13
IUPAC Name1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol
SMILESCCn1ccnc1CC(O)CSc1ccccc1C
InChIInChI=1S/C15H20N2OS/c1-3-17-9-8-16-15(17)10-13(18)11-19-14-7-5-4-6-12(14)2/h4-9,13,18H,3,10-11H2,1-2H3
InChIKeyGBNXPADBFWTACO-UHFFFAOYSA-N
XLogP2.91
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.40
LogP ≤ 52.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-ethylimidazol-2-yl)-3-phenylsulfanylpropan-2-ol
CID 79752865
2-(1-ethylimidazol-2-yl)-1-(2-methylphenyl)ethanamine
CID 79751911
N-[1-(1-ethylimidazol-2-yl)-2-(2-methylphenyl)sulfanylethyl]propan-1-amine
CID 66096354
1-(1-ethylimidazol-2-yl)-3-naphthalen-2-ylpropan-2-ol
CID 105112307
[2-(2-methylphenyl)sulfanyl-1-(1-propylimidazol-2-yl)ethyl]hydrazine
CID 105237408
2-(1-ethylimidazol-2-yl)-1-pyridin-2-ylethanol
CID 79743859
1-(5-ethyl-2-pyridinyl)-3-(2-methylphenyl)sulfanylpropan-2-ol
CID 79745363
1-(1-ethylimidazol-2-yl)-4-(3-methylphenyl)butan-2-ol
CID 105112400
2-(1-ethylimidazol-2-yl)-1-(6-methyl-3-pyridinyl)ethanol
CID 104823019
2-(1-ethylimidazol-2-yl)-1-(3-methyl-2-pyridinyl)ethanamine
CID 79751489
2-(1-ethylimidazol-2-yl)-1-(2-iodophenyl)ethanol
CID 115819308
2-(1-ethylimidazol-2-yl)-1-(2-fluorophenyl)ethanol
CID 79744598

Frequently Asked Questions

What is the IUPAC name of 1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The IUPAC name of 1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol (CID 79752637) is 1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol.
What is the SMILES notation for 1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The canonical SMILES for 1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol is CCn1ccnc1CC(O)CSc1ccccc1C.
What is the InChIKey of 1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
The InChIKey is GBNXPADBFWTACO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2OS/c1-3-17-9-8-16-15(17)10-13(18)11-19-14-7-5-4-6-12(14)2/h4-9,13,18H,3,10-11H2,1-2H3.
What are the key properties of 1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol?
1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol has a molecular weight of 276.40 g/mol, XLogP of 2.91, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-ethylimidazol-2-yl)-3-(2-methylphenyl)sulfanylpropan-2-ol is sourced from PubChem (CID 79752637), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).