1-(2-cyclopropyloxan-4-yl)-5-methylimidazole

C12H18N2O — CID 116798998

IUPAC1-(2-cyclopropyloxan-4-yl)-5-methylimidazole
SMILESCc1cncn1C1CCOC(C2CC2)C1
InChIInChI=1S/C12H18N2O/c1-9-7-13-8-14(9)11-4-5-15-12(6-11)10-2-3-10/h7-8,10-12H,2-6H2,1H3
InChIKeyOMKJZBAOBHZHFA-UHFFFAOYSA-N
MW206.29 g/mol
LogP2.32
Rot. Bonds2

About 1-(2-cyclopropyloxan-4-yl)-5-methylimidazole

1-(2-cyclopropyloxan-4-yl)-5-methylimidazole (PubChem CID 116798998) has the molecular formula C12H18N2O and a molecular weight of 206.29 g/mol. Its IUPAC name is 1-(2-cyclopropyloxan-4-yl)-5-methylimidazole.

Molecular Properties

Compound Name1-(2-cyclopropyloxan-4-yl)-5-methylimidazole
PubChem CID116798998
Molecular FormulaC12H18N2O
Molecular Weight206.29 g/mol
Exact Mass206.14
IUPAC Name1-(2-cyclopropyloxan-4-yl)-5-methylimidazole
SMILESCc1cncn1C1CCOC(C2CC2)C1
InChIInChI=1S/C12H18N2O/c1-9-7-13-8-14(9)11-4-5-15-12(6-11)10-2-3-10/h7-8,10-12H,2-6H2,1H3
InChIKeyOMKJZBAOBHZHFA-UHFFFAOYSA-N
XLogP2.32
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.29
LogP ≤ 52.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropyloxan-4-yl)-5-methylimidazole?
The IUPAC name of 1-(2-cyclopropyloxan-4-yl)-5-methylimidazole (CID 116798998) is 1-(2-cyclopropyloxan-4-yl)-5-methylimidazole.
What is the SMILES notation for 1-(2-cyclopropyloxan-4-yl)-5-methylimidazole?
The canonical SMILES for 1-(2-cyclopropyloxan-4-yl)-5-methylimidazole is Cc1cncn1C1CCOC(C2CC2)C1.
What is the InChIKey of 1-(2-cyclopropyloxan-4-yl)-5-methylimidazole?
The InChIKey is OMKJZBAOBHZHFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O/c1-9-7-13-8-14(9)11-4-5-15-12(6-11)10-2-3-10/h7-8,10-12H,2-6H2,1H3.
What are the key properties of 1-(2-cyclopropyloxan-4-yl)-5-methylimidazole?
1-(2-cyclopropyloxan-4-yl)-5-methylimidazole has a molecular weight of 206.29 g/mol, XLogP of 2.32, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropyloxan-4-yl)-5-methylimidazole is sourced from PubChem (CID 116798998), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).