2-(oxolan-2-yl)-5-propan-2-yl-1H-imidazole

C10H16N2O — CID 135219930

IUPAC2-(oxolan-2-yl)-5-propan-2-yl-1H-imidazole
SMILESCC(C)c1cnc(C2CCCO2)[nH]1
InChIInChI=1S/C10H16N2O/c1-7(2)8-6-11-10(12-8)9-4-3-5-13-9/h6-7,9H,3-5H2,1-2H3,(H,11,12)
InChIKeyXLQJMJMZPISKQU-UHFFFAOYSA-N
MW180.25 g/mol
LogP2.38
Rot. Bonds2

About 2-(oxolan-2-yl)-5-propan-2-yl-1H-imidazole

2-(oxolan-2-yl)-5-propan-2-yl-1H-imidazole (PubChem CID 135219930) has the molecular formula C10H16N2O and a molecular weight of 180.25 g/mol. Its IUPAC name is 2-(oxolan-2-yl)-5-propan-2-yl-1H-imidazole.

Molecular Properties

Compound Name2-(oxolan-2-yl)-5-propan-2-yl-1H-imidazole
PubChem CID135219930
Molecular FormulaC10H16N2O
Molecular Weight180.25 g/mol
Exact Mass180.13
IUPAC Name2-(oxolan-2-yl)-5-propan-2-yl-1H-imidazole
SMILESCC(C)c1cnc(C2CCCO2)[nH]1
InChIInChI=1S/C10H16N2O/c1-7(2)8-6-11-10(12-8)9-4-3-5-13-9/h6-7,9H,3-5H2,1-2H3,(H,11,12)
InChIKeyXLQJMJMZPISKQU-UHFFFAOYSA-N
XLogP2.38
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500180.25
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(oxolan-2-yl)-5-propan-2-yl-1H-imidazole?
The IUPAC name of 2-(oxolan-2-yl)-5-propan-2-yl-1H-imidazole (CID 135219930) is 2-(oxolan-2-yl)-5-propan-2-yl-1H-imidazole.
What is the SMILES notation for 2-(oxolan-2-yl)-5-propan-2-yl-1H-imidazole?
The canonical SMILES for 2-(oxolan-2-yl)-5-propan-2-yl-1H-imidazole is CC(C)c1cnc(C2CCCO2)[nH]1.
What is the InChIKey of 2-(oxolan-2-yl)-5-propan-2-yl-1H-imidazole?
The InChIKey is XLQJMJMZPISKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O/c1-7(2)8-6-11-10(12-8)9-4-3-5-13-9/h6-7,9H,3-5H2,1-2H3,(H,11,12).
What are the key properties of 2-(oxolan-2-yl)-5-propan-2-yl-1H-imidazole?
2-(oxolan-2-yl)-5-propan-2-yl-1H-imidazole has a molecular weight of 180.25 g/mol, XLogP of 2.38, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(oxolan-2-yl)-5-propan-2-yl-1H-imidazole is sourced from PubChem (CID 135219930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).