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

C8H12N2O — CID 141388667

IUPAC5-methyl-2-(oxolan-2-yl)-1H-imidazole
SMILESCc1cnc(C2CCCO2)[nH]1
InChIInChI=1S/C8H12N2O/c1-6-5-9-8(10-6)7-3-2-4-11-7/h5,7H,2-4H2,1H3,(H,9,10)
InChIKeyPDFOHIQRKIJANA-UHFFFAOYSA-N
MW152.20 g/mol
LogP1.57
Rot. Bonds1

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

5-methyl-2-(oxolan-2-yl)-1H-imidazole (PubChem CID 141388667) has the molecular formula C8H12N2O and a molecular weight of 152.20 g/mol. Its IUPAC name is 5-methyl-2-(oxolan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-methyl-2-(oxolan-2-yl)-1H-imidazole
PubChem CID141388667
Molecular FormulaC8H12N2O
Molecular Weight152.20 g/mol
Exact Mass152.09
IUPAC Name5-methyl-2-(oxolan-2-yl)-1H-imidazole
SMILESCc1cnc(C2CCCO2)[nH]1
InChIInChI=1S/C8H12N2O/c1-6-5-9-8(10-6)7-3-2-4-11-7/h5,7H,2-4H2,1H3,(H,9,10)
InChIKeyPDFOHIQRKIJANA-UHFFFAOYSA-N
XLogP1.57
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500152.20
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-methyl-2-(oxolan-2-yl)-1H-imidazole?
The IUPAC name of 5-methyl-2-(oxolan-2-yl)-1H-imidazole (CID 141388667) is 5-methyl-2-(oxolan-2-yl)-1H-imidazole.
What is the SMILES notation for 5-methyl-2-(oxolan-2-yl)-1H-imidazole?
The canonical SMILES for 5-methyl-2-(oxolan-2-yl)-1H-imidazole is Cc1cnc(C2CCCO2)[nH]1.
What is the InChIKey of 5-methyl-2-(oxolan-2-yl)-1H-imidazole?
The InChIKey is PDFOHIQRKIJANA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O/c1-6-5-9-8(10-6)7-3-2-4-11-7/h5,7H,2-4H2,1H3,(H,9,10).
What are the key properties of 5-methyl-2-(oxolan-2-yl)-1H-imidazole?
5-methyl-2-(oxolan-2-yl)-1H-imidazole has a molecular weight of 152.20 g/mol, XLogP of 1.57, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-2-(oxolan-2-yl)-1H-imidazole is sourced from PubChem (CID 141388667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).