1-[2-(1,3-dioxolan-2-yl)butyl]-2-methylimidazole

C11H18N2O2 — CID 67927543

IUPAC1-[2-(1,3-dioxolan-2-yl)butyl]-2-methylimidazole
SMILESCCC(Cn1ccnc1C)C1OCCO1
InChIInChI=1S/C11H18N2O2/c1-3-10(11-14-6-7-15-11)8-13-5-4-12-9(13)2/h4-5,10-11H,3,6-8H2,1-2H3
InChIKeyOBBXKRLUWLILOT-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.59
Rot. Bonds4

About 1-[2-(1,3-dioxolan-2-yl)butyl]-2-methylimidazole

1-[2-(1,3-dioxolan-2-yl)butyl]-2-methylimidazole (PubChem CID 67927543) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[2-(1,3-dioxolan-2-yl)butyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[2-(1,3-dioxolan-2-yl)butyl]-2-methylimidazole
PubChem CID67927543
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[2-(1,3-dioxolan-2-yl)butyl]-2-methylimidazole
SMILESCCC(Cn1ccnc1C)C1OCCO1
InChIInChI=1S/C11H18N2O2/c1-3-10(11-14-6-7-15-11)8-13-5-4-12-9(13)2/h4-5,10-11H,3,6-8H2,1-2H3
InChIKeyOBBXKRLUWLILOT-UHFFFAOYSA-N
XLogP1.59
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[2-(1,3-dioxolan-2-yl)butyl]-2-methylimidazole?
The IUPAC name of 1-[2-(1,3-dioxolan-2-yl)butyl]-2-methylimidazole (CID 67927543) is 1-[2-(1,3-dioxolan-2-yl)butyl]-2-methylimidazole.
What is the SMILES notation for 1-[2-(1,3-dioxolan-2-yl)butyl]-2-methylimidazole?
The canonical SMILES for 1-[2-(1,3-dioxolan-2-yl)butyl]-2-methylimidazole is CCC(Cn1ccnc1C)C1OCCO1.
What is the InChIKey of 1-[2-(1,3-dioxolan-2-yl)butyl]-2-methylimidazole?
The InChIKey is OBBXKRLUWLILOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-10(11-14-6-7-15-11)8-13-5-4-12-9(13)2/h4-5,10-11H,3,6-8H2,1-2H3.
What are the key properties of 1-[2-(1,3-dioxolan-2-yl)butyl]-2-methylimidazole?
1-[2-(1,3-dioxolan-2-yl)butyl]-2-methylimidazole has a molecular weight of 210.28 g/mol, XLogP of 1.59, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1,3-dioxolan-2-yl)butyl]-2-methylimidazole is sourced from PubChem (CID 67927543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).