[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol

C13H22N2O2 — CID 116779659

IUPAC[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol
SMILESCCOC1(c2ncc(CO)[nH]2)CCCC(C)C1
InChIInChI=1S/C13H22N2O2/c1-3-17-13(6-4-5-10(2)7-13)12-14-8-11(9-16)15-12/h8,10,16H,3-7,9H2,1-2H3,(H,14,15)
InChIKeyARFSEOGXIZZBBW-UHFFFAOYSA-N
MW238.33 g/mol
LogP2.34
Rot. Bonds4

About [2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol

[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol (PubChem CID 116779659) has the molecular formula C13H22N2O2 and a molecular weight of 238.33 g/mol. Its IUPAC name is [2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol
PubChem CID116779659
Molecular FormulaC13H22N2O2
Molecular Weight238.33 g/mol
Exact Mass238.17
IUPAC Name[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol
SMILESCCOC1(c2ncc(CO)[nH]2)CCCC(C)C1
InChIInChI=1S/C13H22N2O2/c1-3-17-13(6-4-5-10(2)7-13)12-14-8-11(9-16)15-12/h8,10,16H,3-7,9H2,1-2H3,(H,14,15)
InChIKeyARFSEOGXIZZBBW-UHFFFAOYSA-N
XLogP2.34
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.33
LogP ≤ 52.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol (CID 116779659) is [2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol is CCOC1(c2ncc(CO)[nH]2)CCCC(C)C1.
What is the InChIKey of [2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol?
The InChIKey is ARFSEOGXIZZBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N2O2/c1-3-17-13(6-4-5-10(2)7-13)12-14-8-11(9-16)15-12/h8,10,16H,3-7,9H2,1-2H3,(H,14,15).
What are the key properties of [2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol?
[2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol has a molecular weight of 238.33 g/mol, XLogP of 2.34, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-ethoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 116779659), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).