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

C12H20N2O2 — CID 116779662

IUPAC[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol
SMILESCOC1(c2ncc(CO)[nH]2)CCCC(C)C1
InChIInChI=1S/C12H20N2O2/c1-9-4-3-5-12(6-9,16-2)11-13-7-10(8-15)14-11/h7,9,15H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyNVLOAWVVWMJQCY-UHFFFAOYSA-N
MW224.30 g/mol
LogP1.95
Rot. Bonds3

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

[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol (PubChem CID 116779662) has the molecular formula C12H20N2O2 and a molecular weight of 224.30 g/mol. Its IUPAC name is [2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol.

Molecular Properties

Compound Name[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol
PubChem CID116779662
Molecular FormulaC12H20N2O2
Molecular Weight224.30 g/mol
Exact Mass224.15
IUPAC Name[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol
SMILESCOC1(c2ncc(CO)[nH]2)CCCC(C)C1
InChIInChI=1S/C12H20N2O2/c1-9-4-3-5-12(6-9,16-2)11-13-7-10(8-15)14-11/h7,9,15H,3-6,8H2,1-2H3,(H,13,14)
InChIKeyNVLOAWVVWMJQCY-UHFFFAOYSA-N
XLogP1.95
TPSA58.14 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.30
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of [2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol?
The IUPAC name of [2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol (CID 116779662) is [2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol.
What is the SMILES notation for [2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol?
The canonical SMILES for [2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol is COC1(c2ncc(CO)[nH]2)CCCC(C)C1.
What is the InChIKey of [2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol?
The InChIKey is NVLOAWVVWMJQCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N2O2/c1-9-4-3-5-12(6-9,16-2)11-13-7-10(8-15)14-11/h7,9,15H,3-6,8H2,1-2H3,(H,13,14).
What are the key properties of [2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol?
[2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol has a molecular weight of 224.30 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(1-methoxy-3-methylcyclohexyl)-1H-imidazol-5-yl]methanol is sourced from PubChem (CID 116779662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).