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

C11H18N2O2 — CID 91292154

IUPAC1-butyl-2-(1,4-dioxan-2-yl)imidazole
SMILESCCCCn1ccnc1C1COCCO1
InChIInChI=1S/C11H18N2O2/c1-2-3-5-13-6-4-12-11(13)10-9-14-7-8-15-10/h4,6,10H,2-3,5,7-9H2,1H3
InChIKeyRPYFOJJQMVIQBA-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.77
Rot. Bonds4

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

1-butyl-2-(1,4-dioxan-2-yl)imidazole (PubChem CID 91292154) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-butyl-2-(1,4-dioxan-2-yl)imidazole.

Molecular Properties

Compound Name1-butyl-2-(1,4-dioxan-2-yl)imidazole
PubChem CID91292154
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-butyl-2-(1,4-dioxan-2-yl)imidazole
SMILESCCCCn1ccnc1C1COCCO1
InChIInChI=1S/C11H18N2O2/c1-2-3-5-13-6-4-12-11(13)10-9-14-7-8-15-10/h4,6,10H,2-3,5,7-9H2,1H3
InChIKeyRPYFOJJQMVIQBA-UHFFFAOYSA-N
XLogP1.77
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 ≤ 51.77
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-butyl-2-(1,4-dioxan-2-yl)imidazole?
The IUPAC name of 1-butyl-2-(1,4-dioxan-2-yl)imidazole (CID 91292154) is 1-butyl-2-(1,4-dioxan-2-yl)imidazole.
What is the SMILES notation for 1-butyl-2-(1,4-dioxan-2-yl)imidazole?
The canonical SMILES for 1-butyl-2-(1,4-dioxan-2-yl)imidazole is CCCCn1ccnc1C1COCCO1.
What is the InChIKey of 1-butyl-2-(1,4-dioxan-2-yl)imidazole?
The InChIKey is RPYFOJJQMVIQBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-2-3-5-13-6-4-12-11(13)10-9-14-7-8-15-10/h4,6,10H,2-3,5,7-9H2,1H3.
What are the key properties of 1-butyl-2-(1,4-dioxan-2-yl)imidazole?
1-butyl-2-(1,4-dioxan-2-yl)imidazole has a molecular weight of 210.28 g/mol, XLogP of 1.77, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-butyl-2-(1,4-dioxan-2-yl)imidazole is sourced from PubChem (CID 91292154), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).