1-(2-methylpropyl)-5-(propan-2-yloxymethyl)imidazole

C11H20N2O — CID 118217278

IUPAC1-(2-methylpropyl)-5-(propan-2-yloxymethyl)imidazole
SMILESCC(C)Cn1cncc1COC(C)C
InChIInChI=1S/C11H20N2O/c1-9(2)6-13-8-12-5-11(13)7-14-10(3)4/h5,8-10H,6-7H2,1-4H3
InChIKeyCZUCGLFQONJJSH-UHFFFAOYSA-N
MW196.29 g/mol
LogP2.46
Rot. Bonds5

About 1-(2-methylpropyl)-5-(propan-2-yloxymethyl)imidazole

1-(2-methylpropyl)-5-(propan-2-yloxymethyl)imidazole (PubChem CID 118217278) has the molecular formula C11H20N2O and a molecular weight of 196.29 g/mol. Its IUPAC name is 1-(2-methylpropyl)-5-(propan-2-yloxymethyl)imidazole.

Molecular Properties

Compound Name1-(2-methylpropyl)-5-(propan-2-yloxymethyl)imidazole
PubChem CID118217278
Molecular FormulaC11H20N2O
Molecular Weight196.29 g/mol
Exact Mass196.16
IUPAC Name1-(2-methylpropyl)-5-(propan-2-yloxymethyl)imidazole
SMILESCC(C)Cn1cncc1COC(C)C
InChIInChI=1S/C11H20N2O/c1-9(2)6-13-8-12-5-11(13)7-14-10(3)4/h5,8-10H,6-7H2,1-4H3
InChIKeyCZUCGLFQONJJSH-UHFFFAOYSA-N
XLogP2.46
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.29
LogP ≤ 52.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methylpropyl)-5-(propan-2-yloxymethyl)imidazole?
The IUPAC name of 1-(2-methylpropyl)-5-(propan-2-yloxymethyl)imidazole (CID 118217278) is 1-(2-methylpropyl)-5-(propan-2-yloxymethyl)imidazole.
What is the SMILES notation for 1-(2-methylpropyl)-5-(propan-2-yloxymethyl)imidazole?
The canonical SMILES for 1-(2-methylpropyl)-5-(propan-2-yloxymethyl)imidazole is CC(C)Cn1cncc1COC(C)C.
What is the InChIKey of 1-(2-methylpropyl)-5-(propan-2-yloxymethyl)imidazole?
The InChIKey is CZUCGLFQONJJSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O/c1-9(2)6-13-8-12-5-11(13)7-14-10(3)4/h5,8-10H,6-7H2,1-4H3.
What are the key properties of 1-(2-methylpropyl)-5-(propan-2-yloxymethyl)imidazole?
1-(2-methylpropyl)-5-(propan-2-yloxymethyl)imidazole has a molecular weight of 196.29 g/mol, XLogP of 2.46, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methylpropyl)-5-(propan-2-yloxymethyl)imidazole is sourced from PubChem (CID 118217278), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).