2-imidazol-1-yl-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol

C13H20N2O — CID 22625216

IUPAC2-imidazol-1-yl-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1CCC(C)(O)C(n2ccnc2)C1
InChIInChI=1S/C13H20N2O/c1-10(2)11-4-5-13(3,16)12(8-11)15-7-6-14-9-15/h6-7,9,11-12,16H,1,4-5,8H2,2-3H3
InChIKeyJFVKGGLAAUQHNK-UHFFFAOYSA-N
MW220.32 g/mol
LogP2.55
Rot. Bonds2

About 2-imidazol-1-yl-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol

2-imidazol-1-yl-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol (PubChem CID 22625216) has the molecular formula C13H20N2O and a molecular weight of 220.32 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol.

Molecular Properties

Compound Name2-imidazol-1-yl-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
PubChem CID22625216
Molecular FormulaC13H20N2O
Molecular Weight220.32 g/mol
Exact Mass220.16
IUPAC Name2-imidazol-1-yl-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol
SMILESC=C(C)C1CCC(C)(O)C(n2ccnc2)C1
InChIInChI=1S/C13H20N2O/c1-10(2)11-4-5-13(3,16)12(8-11)15-7-6-14-9-15/h6-7,9,11-12,16H,1,4-5,8H2,2-3H3
InChIKeyJFVKGGLAAUQHNK-UHFFFAOYSA-N
XLogP2.55
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500220.32
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol?
The IUPAC name of 2-imidazol-1-yl-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol (CID 22625216) is 2-imidazol-1-yl-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol.
What is the SMILES notation for 2-imidazol-1-yl-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol?
The canonical SMILES for 2-imidazol-1-yl-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol is C=C(C)C1CCC(C)(O)C(n2ccnc2)C1.
What is the InChIKey of 2-imidazol-1-yl-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol?
The InChIKey is JFVKGGLAAUQHNK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O/c1-10(2)11-4-5-13(3,16)12(8-11)15-7-6-14-9-15/h6-7,9,11-12,16H,1,4-5,8H2,2-3H3.
What are the key properties of 2-imidazol-1-yl-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol?
2-imidazol-1-yl-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol has a molecular weight of 220.32 g/mol, XLogP of 2.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-methyl-4-prop-1-en-2-ylcyclohexan-1-ol is sourced from PubChem (CID 22625216), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).