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

C7H10N2O — CID 54028503

IUPAC5-(oxolan-2-yl)-1H-imidazole
SMILESc1ncc(C2CCCO2)[nH]1
InChIInChI=1S/C7H10N2O/c1-2-7(10-3-1)6-4-8-5-9-6/h4-5,7H,1-3H2,(H,8,9)
InChIKeyRQSBQQCLISDHJJ-UHFFFAOYSA-N
MW138.17 g/mol
LogP1.26
Rot. Bonds1

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

5-(oxolan-2-yl)-1H-imidazole (PubChem CID 54028503) has the molecular formula C7H10N2O and a molecular weight of 138.17 g/mol. Its IUPAC name is 5-(oxolan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name5-(oxolan-2-yl)-1H-imidazole
PubChem CID54028503
Molecular FormulaC7H10N2O
Molecular Weight138.17 g/mol
Exact Mass138.08
IUPAC Name5-(oxolan-2-yl)-1H-imidazole
SMILESc1ncc(C2CCCO2)[nH]1
InChIInChI=1S/C7H10N2O/c1-2-7(10-3-1)6-4-8-5-9-6/h4-5,7H,1-3H2,(H,8,9)
InChIKeyRQSBQQCLISDHJJ-UHFFFAOYSA-N
XLogP1.26
TPSA37.91 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500138.17
LogP ≤ 51.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5-(oxolan-2-yl)-1H-imidazole?
The IUPAC name of 5-(oxolan-2-yl)-1H-imidazole (CID 54028503) is 5-(oxolan-2-yl)-1H-imidazole.
What is the SMILES notation for 5-(oxolan-2-yl)-1H-imidazole?
The canonical SMILES for 5-(oxolan-2-yl)-1H-imidazole is c1ncc(C2CCCO2)[nH]1.
What is the InChIKey of 5-(oxolan-2-yl)-1H-imidazole?
The InChIKey is RQSBQQCLISDHJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O/c1-2-7(10-3-1)6-4-8-5-9-6/h4-5,7H,1-3H2,(H,8,9).
What are the key properties of 5-(oxolan-2-yl)-1H-imidazole?
5-(oxolan-2-yl)-1H-imidazole has a molecular weight of 138.17 g/mol, XLogP of 1.26, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(oxolan-2-yl)-1H-imidazole is sourced from PubChem (CID 54028503), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).