(1-ethyl-3-methyl-2H-imidazol-2-yl) butanoate

C10H18N2O2 — CID 66707576

IUPAC(1-ethyl-3-methyl-2H-imidazol-2-yl) butanoate
SMILESCCCC(=O)OC1N(C)C=CN1CC
InChIInChI=1S/C10H18N2O2/c1-4-6-9(13)14-10-11(3)7-8-12(10)5-2/h7-8,10H,4-6H2,1-3H3
InChIKeyCGIJTNBYUDJKIQ-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.35
Rot. Bonds4

About (1-ethyl-3-methyl-2H-imidazol-2-yl) butanoate

(1-ethyl-3-methyl-2H-imidazol-2-yl) butanoate (PubChem CID 66707576) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is (1-ethyl-3-methyl-2H-imidazol-2-yl) butanoate.

Molecular Properties

Compound Name(1-ethyl-3-methyl-2H-imidazol-2-yl) butanoate
PubChem CID66707576
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name(1-ethyl-3-methyl-2H-imidazol-2-yl) butanoate
SMILESCCCC(=O)OC1N(C)C=CN1CC
InChIInChI=1S/C10H18N2O2/c1-4-6-9(13)14-10-11(3)7-8-12(10)5-2/h7-8,10H,4-6H2,1-3H3
InChIKeyCGIJTNBYUDJKIQ-UHFFFAOYSA-N
XLogP1.35
TPSA32.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1-ethyl-3-methyl-2H-imidazol-2-yl) butanoate?
The IUPAC name of (1-ethyl-3-methyl-2H-imidazol-2-yl) butanoate (CID 66707576) is (1-ethyl-3-methyl-2H-imidazol-2-yl) butanoate.
What is the SMILES notation for (1-ethyl-3-methyl-2H-imidazol-2-yl) butanoate?
The canonical SMILES for (1-ethyl-3-methyl-2H-imidazol-2-yl) butanoate is CCCC(=O)OC1N(C)C=CN1CC.
What is the InChIKey of (1-ethyl-3-methyl-2H-imidazol-2-yl) butanoate?
The InChIKey is CGIJTNBYUDJKIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-4-6-9(13)14-10-11(3)7-8-12(10)5-2/h7-8,10H,4-6H2,1-3H3.
What are the key properties of (1-ethyl-3-methyl-2H-imidazol-2-yl) butanoate?
(1-ethyl-3-methyl-2H-imidazol-2-yl) butanoate has a molecular weight of 198.27 g/mol, XLogP of 1.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1-ethyl-3-methyl-2H-imidazol-2-yl) butanoate is sourced from PubChem (CID 66707576), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).