1-ethynyl-4-(1H-imidazol-2-yl)cyclohexan-1-ol

C11H14N2O — CID 18695371

IUPAC1-ethynyl-4-(1H-imidazol-2-yl)cyclohexan-1-ol
SMILESC#CC1(O)CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C11H14N2O/c1-2-11(14)5-3-9(4-6-11)10-12-7-8-13-10/h1,7-9,14H,3-6H2,(H,12,13)
InChIKeyWVPNALVZTPCAIM-UHFFFAOYSA-N
MW190.25 g/mol
LogP1.43
Rot. Bonds1

About 1-ethynyl-4-(1H-imidazol-2-yl)cyclohexan-1-ol

1-ethynyl-4-(1H-imidazol-2-yl)cyclohexan-1-ol (PubChem CID 18695371) has the molecular formula C11H14N2O and a molecular weight of 190.25 g/mol. Its IUPAC name is 1-ethynyl-4-(1H-imidazol-2-yl)cyclohexan-1-ol.

Molecular Properties

Compound Name1-ethynyl-4-(1H-imidazol-2-yl)cyclohexan-1-ol
PubChem CID18695371
Molecular FormulaC11H14N2O
Molecular Weight190.25 g/mol
Exact Mass190.11
IUPAC Name1-ethynyl-4-(1H-imidazol-2-yl)cyclohexan-1-ol
SMILESC#CC1(O)CCC(c2ncc[nH]2)CC1
InChIInChI=1S/C11H14N2O/c1-2-11(14)5-3-9(4-6-11)10-12-7-8-13-10/h1,7-9,14H,3-6H2,(H,12,13)
InChIKeyWVPNALVZTPCAIM-UHFFFAOYSA-N
XLogP1.43
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500190.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-ethynyl-4-(1H-imidazol-2-yl)cyclohexan-1-ol?
The IUPAC name of 1-ethynyl-4-(1H-imidazol-2-yl)cyclohexan-1-ol (CID 18695371) is 1-ethynyl-4-(1H-imidazol-2-yl)cyclohexan-1-ol.
What is the SMILES notation for 1-ethynyl-4-(1H-imidazol-2-yl)cyclohexan-1-ol?
The canonical SMILES for 1-ethynyl-4-(1H-imidazol-2-yl)cyclohexan-1-ol is C#CC1(O)CCC(c2ncc[nH]2)CC1.
What is the InChIKey of 1-ethynyl-4-(1H-imidazol-2-yl)cyclohexan-1-ol?
The InChIKey is WVPNALVZTPCAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O/c1-2-11(14)5-3-9(4-6-11)10-12-7-8-13-10/h1,7-9,14H,3-6H2,(H,12,13).
What are the key properties of 1-ethynyl-4-(1H-imidazol-2-yl)cyclohexan-1-ol?
1-ethynyl-4-(1H-imidazol-2-yl)cyclohexan-1-ol has a molecular weight of 190.25 g/mol, XLogP of 1.43, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-ethynyl-4-(1H-imidazol-2-yl)cyclohexan-1-ol is sourced from PubChem (CID 18695371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).