(1-butyl-3-methyl-2H-imidazol-2-yl) propanoate

C11H20N2O2 — CID 66664677

IUPAC(1-butyl-3-methyl-2H-imidazol-2-yl) propanoate
SMILESCCCCN1C=CN(C)C1OC(=O)CC
InChIInChI=1S/C11H20N2O2/c1-4-6-7-13-9-8-12(3)11(13)15-10(14)5-2/h8-9,11H,4-7H2,1-3H3
InChIKeyPPUHRJXJZASSTL-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.74
Rot. Bonds5

About (1-butyl-3-methyl-2H-imidazol-2-yl) propanoate

(1-butyl-3-methyl-2H-imidazol-2-yl) propanoate (PubChem CID 66664677) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is (1-butyl-3-methyl-2H-imidazol-2-yl) propanoate.

Molecular Properties

Compound Name(1-butyl-3-methyl-2H-imidazol-2-yl) propanoate
PubChem CID66664677
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name(1-butyl-3-methyl-2H-imidazol-2-yl) propanoate
SMILESCCCCN1C=CN(C)C1OC(=O)CC
InChIInChI=1S/C11H20N2O2/c1-4-6-7-13-9-8-12(3)11(13)15-10(14)5-2/h8-9,11H,4-7H2,1-3H3
InChIKeyPPUHRJXJZASSTL-UHFFFAOYSA-N
XLogP1.74
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.74
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-butyl-3-methyl-2H-imidazol-2-yl) propanoate?
The IUPAC name of (1-butyl-3-methyl-2H-imidazol-2-yl) propanoate (CID 66664677) is (1-butyl-3-methyl-2H-imidazol-2-yl) propanoate.
What is the SMILES notation for (1-butyl-3-methyl-2H-imidazol-2-yl) propanoate?
The canonical SMILES for (1-butyl-3-methyl-2H-imidazol-2-yl) propanoate is CCCCN1C=CN(C)C1OC(=O)CC.
What is the InChIKey of (1-butyl-3-methyl-2H-imidazol-2-yl) propanoate?
The InChIKey is PPUHRJXJZASSTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-4-6-7-13-9-8-12(3)11(13)15-10(14)5-2/h8-9,11H,4-7H2,1-3H3.
What are the key properties of (1-butyl-3-methyl-2H-imidazol-2-yl) propanoate?
(1-butyl-3-methyl-2H-imidazol-2-yl) propanoate has a molecular weight of 212.29 g/mol, XLogP of 1.74, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-butyl-3-methyl-2H-imidazol-2-yl) propanoate is sourced from PubChem (CID 66664677), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).