1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol

C12H16N2OS — CID 66162635

IUPAC1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol
SMILESCC(C)n1cncc1C(O)Cc1ccsc1
InChIInChI=1S/C12H16N2OS/c1-9(2)14-8-13-6-11(14)12(15)5-10-3-4-16-7-10/h3-4,6-9,12,15H,5H2,1-2H3
InChIKeyFLOIHHBTNUOTOS-UHFFFAOYSA-N
MW236.34 g/mol
LogP2.80
Rot. Bonds4

About 1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol

1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol (PubChem CID 66162635) has the molecular formula C12H16N2OS and a molecular weight of 236.34 g/mol. Its IUPAC name is 1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol.

Molecular Properties

Compound Name1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol
PubChem CID66162635
Molecular FormulaC12H16N2OS
Molecular Weight236.34 g/mol
Exact Mass236.10
IUPAC Name1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol
SMILESCC(C)n1cncc1C(O)Cc1ccsc1
InChIInChI=1S/C12H16N2OS/c1-9(2)14-8-13-6-11(14)12(15)5-10-3-4-16-7-10/h3-4,6-9,12,15H,5H2,1-2H3
InChIKeyFLOIHHBTNUOTOS-UHFFFAOYSA-N
XLogP2.80
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.34
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-phenyl-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162644
2-(3,4-dimethylphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66164033
[3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methanol
CID 66150617
2-(3,4-difluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 82920072
4-hydroxy-2-methyl-4-(3-propan-2-ylimidazol-4-yl)butanoic acid
CID 66130717
1-thiophen-3-ylbutane-2,3-diol
CID 103452838
3-methyl-1-thiophen-3-ylbutan-2-ol
CID 62605936
2-(2-methoxyphenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66162236
2-(1-pentan-3-ylpyrazol-3-yl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66163237
1-(3-ethyl-1-methylpyrazol-5-yl)-2-thiophen-3-ylethanol
CID 105089506
2-(5-bromo-2-fluorophenyl)-1-(3-propan-2-ylimidazol-4-yl)ethanol
CID 66163449
2-methyl-N-[[3-(1-thiophen-3-ylpropan-2-yl)imidazol-4-yl]methyl]propan-1-amine
CID 66146542

Frequently Asked Questions

What is the IUPAC name of 1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol?
The IUPAC name of 1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol (CID 66162635) is 1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol.
What is the SMILES notation for 1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol?
The canonical SMILES for 1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol is CC(C)n1cncc1C(O)Cc1ccsc1.
What is the InChIKey of 1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol?
The InChIKey is FLOIHHBTNUOTOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2OS/c1-9(2)14-8-13-6-11(14)12(15)5-10-3-4-16-7-10/h3-4,6-9,12,15H,5H2,1-2H3.
What are the key properties of 1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol?
1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol has a molecular weight of 236.34 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-propan-2-ylimidazol-4-yl)-2-thiophen-3-ylethanol is sourced from PubChem (CID 66162635), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).