2-imidazol-1-yl-1-thiophen-2-ylethanol

C9H10N2OS — CID 22324728

IUPAC2-imidazol-1-yl-1-thiophen-2-ylethanol
SMILESOC(Cn1ccnc1)c1cccs1
InChIInChI=1S/C9H10N2OS/c12-8(9-2-1-5-13-9)6-11-4-3-10-7-11/h1-5,7-8,12H,6H2
InChIKeyCHNKAIFIYAFIJC-UHFFFAOYSA-N
MW194.26 g/mol
LogP1.68
Rot. Bonds3

About 2-imidazol-1-yl-1-thiophen-2-ylethanol

2-imidazol-1-yl-1-thiophen-2-ylethanol (PubChem CID 22324728) has the molecular formula C9H10N2OS and a molecular weight of 194.26 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-thiophen-2-ylethanol.

Molecular Properties

Compound Name2-imidazol-1-yl-1-thiophen-2-ylethanol
PubChem CID22324728
Molecular FormulaC9H10N2OS
Molecular Weight194.26 g/mol
Exact Mass194.05
IUPAC Name2-imidazol-1-yl-1-thiophen-2-ylethanol
SMILESOC(Cn1ccnc1)c1cccs1
InChIInChI=1S/C9H10N2OS/c12-8(9-2-1-5-13-9)6-11-4-3-10-7-11/h1-5,7-8,12H,6H2
InChIKeyCHNKAIFIYAFIJC-UHFFFAOYSA-N
XLogP1.68
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500194.26
LogP ≤ 51.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-thiophen-2-ylethanol?
The IUPAC name of 2-imidazol-1-yl-1-thiophen-2-ylethanol (CID 22324728) is 2-imidazol-1-yl-1-thiophen-2-ylethanol.
What is the SMILES notation for 2-imidazol-1-yl-1-thiophen-2-ylethanol?
The canonical SMILES for 2-imidazol-1-yl-1-thiophen-2-ylethanol is OC(Cn1ccnc1)c1cccs1.
What is the InChIKey of 2-imidazol-1-yl-1-thiophen-2-ylethanol?
The InChIKey is CHNKAIFIYAFIJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H10N2OS/c12-8(9-2-1-5-13-9)6-11-4-3-10-7-11/h1-5,7-8,12H,6H2.
What are the key properties of 2-imidazol-1-yl-1-thiophen-2-ylethanol?
2-imidazol-1-yl-1-thiophen-2-ylethanol has a molecular weight of 194.26 g/mol, XLogP of 1.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-thiophen-2-ylethanol is sourced from PubChem (CID 22324728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).