2-(2-thiophen-2-ylimidazol-1-yl)cyclohexan-1-ol

C13H16N2OS — CID 55206779

IUPAC2-(2-thiophen-2-ylimidazol-1-yl)cyclohexan-1-ol
SMILESOC1CCCCC1n1ccnc1-c1cccs1
InChIInChI=1S/C13H16N2OS/c16-11-5-2-1-4-10(11)15-8-7-14-13(15)12-6-3-9-17-12/h3,6-11,16H,1-2,4-5H2
InChIKeyQTPGYEMATOFKLG-UHFFFAOYSA-N
MW248.35 g/mol
LogP3.09
Rot. Bonds2

About 2-(2-thiophen-2-ylimidazol-1-yl)cyclohexan-1-ol

2-(2-thiophen-2-ylimidazol-1-yl)cyclohexan-1-ol (PubChem CID 55206779) has the molecular formula C13H16N2OS and a molecular weight of 248.35 g/mol. Its IUPAC name is 2-(2-thiophen-2-ylimidazol-1-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name2-(2-thiophen-2-ylimidazol-1-yl)cyclohexan-1-ol
PubChem CID55206779
Molecular FormulaC13H16N2OS
Molecular Weight248.35 g/mol
Exact Mass248.10
IUPAC Name2-(2-thiophen-2-ylimidazol-1-yl)cyclohexan-1-ol
SMILESOC1CCCCC1n1ccnc1-c1cccs1
InChIInChI=1S/C13H16N2OS/c16-11-5-2-1-4-10(11)15-8-7-14-13(15)12-6-3-9-17-12/h3,6-11,16H,1-2,4-5H2
InChIKeyQTPGYEMATOFKLG-UHFFFAOYSA-N
XLogP3.09
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.35
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-thiophen-2-ylimidazol-1-yl)cyclohexan-1-ol?
The IUPAC name of 2-(2-thiophen-2-ylimidazol-1-yl)cyclohexan-1-ol (CID 55206779) is 2-(2-thiophen-2-ylimidazol-1-yl)cyclohexan-1-ol.
What is the SMILES notation for 2-(2-thiophen-2-ylimidazol-1-yl)cyclohexan-1-ol?
The canonical SMILES for 2-(2-thiophen-2-ylimidazol-1-yl)cyclohexan-1-ol is OC1CCCCC1n1ccnc1-c1cccs1.
What is the InChIKey of 2-(2-thiophen-2-ylimidazol-1-yl)cyclohexan-1-ol?
The InChIKey is QTPGYEMATOFKLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H16N2OS/c16-11-5-2-1-4-10(11)15-8-7-14-13(15)12-6-3-9-17-12/h3,6-11,16H,1-2,4-5H2.
What are the key properties of 2-(2-thiophen-2-ylimidazol-1-yl)cyclohexan-1-ol?
2-(2-thiophen-2-ylimidazol-1-yl)cyclohexan-1-ol has a molecular weight of 248.35 g/mol, XLogP of 3.09, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-thiophen-2-ylimidazol-1-yl)cyclohexan-1-ol is sourced from PubChem (CID 55206779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).