2-(1,4-dioxan-2-yl)-1H-imidazole

C7H10N2O2 — CID 57454626

IUPAC2-(1,4-dioxan-2-yl)-1H-imidazole
SMILESc1c[nH]c(C2COCCO2)n1
InChIInChI=1S/C7H10N2O2/c1-2-9-7(8-1)6-5-10-3-4-11-6/h1-2,6H,3-5H2,(H,8,9)
InChIKeyADGMKBPVIFLQJX-UHFFFAOYSA-N
MW154.17 g/mol
LogP0.50
Rot. Bonds1

About 2-(1,4-dioxan-2-yl)-1H-imidazole

2-(1,4-dioxan-2-yl)-1H-imidazole (PubChem CID 57454626) has the molecular formula C7H10N2O2 and a molecular weight of 154.17 g/mol. Its IUPAC name is 2-(1,4-dioxan-2-yl)-1H-imidazole.

Molecular Properties

Compound Name2-(1,4-dioxan-2-yl)-1H-imidazole
PubChem CID57454626
Molecular FormulaC7H10N2O2
Molecular Weight154.17 g/mol
Exact Mass154.07
IUPAC Name2-(1,4-dioxan-2-yl)-1H-imidazole
SMILESc1c[nH]c(C2COCCO2)n1
InChIInChI=1S/C7H10N2O2/c1-2-9-7(8-1)6-5-10-3-4-11-6/h1-2,6H,3-5H2,(H,8,9)
InChIKeyADGMKBPVIFLQJX-UHFFFAOYSA-N
XLogP0.50
TPSA47.14 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500154.17
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(1,4-dioxan-2-yl)-1H-imidazole?
The IUPAC name of 2-(1,4-dioxan-2-yl)-1H-imidazole (CID 57454626) is 2-(1,4-dioxan-2-yl)-1H-imidazole.
What is the SMILES notation for 2-(1,4-dioxan-2-yl)-1H-imidazole?
The canonical SMILES for 2-(1,4-dioxan-2-yl)-1H-imidazole is c1c[nH]c(C2COCCO2)n1.
What is the InChIKey of 2-(1,4-dioxan-2-yl)-1H-imidazole?
The InChIKey is ADGMKBPVIFLQJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H10N2O2/c1-2-9-7(8-1)6-5-10-3-4-11-6/h1-2,6H,3-5H2,(H,8,9).
What are the key properties of 2-(1,4-dioxan-2-yl)-1H-imidazole?
2-(1,4-dioxan-2-yl)-1H-imidazole has a molecular weight of 154.17 g/mol, XLogP of 0.50, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,4-dioxan-2-yl)-1H-imidazole is sourced from PubChem (CID 57454626), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).