(1,3-dibutyl-2H-imidazol-2-yl) acetate

C13H24N2O2 — CID 67204276

IUPAC(1,3-dibutyl-2H-imidazol-2-yl) acetate
SMILESCCCCN1C=CN(CCCC)C1OC(C)=O
InChIInChI=1S/C13H24N2O2/c1-4-6-8-14-10-11-15(9-7-5-2)13(14)17-12(3)16/h10-11,13H,4-9H2,1-3H3
InChIKeyDGNTWMOMWQYOCW-UHFFFAOYSA-N
MW240.35 g/mol
LogP2.52
Rot. Bonds7

About (1,3-dibutyl-2H-imidazol-2-yl) acetate

(1,3-dibutyl-2H-imidazol-2-yl) acetate (PubChem CID 67204276) has the molecular formula C13H24N2O2 and a molecular weight of 240.35 g/mol. Its IUPAC name is (1,3-dibutyl-2H-imidazol-2-yl) acetate.

Molecular Properties

Compound Name(1,3-dibutyl-2H-imidazol-2-yl) acetate
PubChem CID67204276
Molecular FormulaC13H24N2O2
Molecular Weight240.35 g/mol
Exact Mass240.18
IUPAC Name(1,3-dibutyl-2H-imidazol-2-yl) acetate
SMILESCCCCN1C=CN(CCCC)C1OC(C)=O
InChIInChI=1S/C13H24N2O2/c1-4-6-8-14-10-11-15(9-7-5-2)13(14)17-12(3)16/h10-11,13H,4-9H2,1-3H3
InChIKeyDGNTWMOMWQYOCW-UHFFFAOYSA-N
XLogP2.52
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.35
LogP ≤ 52.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1,3-dibutyl-2H-imidazol-2-yl) acetate?
The IUPAC name of (1,3-dibutyl-2H-imidazol-2-yl) acetate (CID 67204276) is (1,3-dibutyl-2H-imidazol-2-yl) acetate.
What is the SMILES notation for (1,3-dibutyl-2H-imidazol-2-yl) acetate?
The canonical SMILES for (1,3-dibutyl-2H-imidazol-2-yl) acetate is CCCCN1C=CN(CCCC)C1OC(C)=O.
What is the InChIKey of (1,3-dibutyl-2H-imidazol-2-yl) acetate?
The InChIKey is DGNTWMOMWQYOCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N2O2/c1-4-6-8-14-10-11-15(9-7-5-2)13(14)17-12(3)16/h10-11,13H,4-9H2,1-3H3.
What are the key properties of (1,3-dibutyl-2H-imidazol-2-yl) acetate?
(1,3-dibutyl-2H-imidazol-2-yl) acetate has a molecular weight of 240.35 g/mol, XLogP of 2.52, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1,3-dibutyl-2H-imidazol-2-yl) acetate is sourced from PubChem (CID 67204276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).