1H-imidazol-2-yl 2-ethylhexanoate

C11H18N2O2 — CID 166514820

IUPAC1H-imidazol-2-yl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)Oc1ncc[nH]1
InChIInChI=1S/C11H18N2O2/c1-3-5-6-9(4-2)10(14)15-11-12-7-8-13-11/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyYCOXEPWLKUNRRK-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.53
Rot. Bonds6

About 1H-imidazol-2-yl 2-ethylhexanoate

1H-imidazol-2-yl 2-ethylhexanoate (PubChem CID 166514820) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1H-imidazol-2-yl 2-ethylhexanoate.

Molecular Properties

Compound Name1H-imidazol-2-yl 2-ethylhexanoate
PubChem CID166514820
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1H-imidazol-2-yl 2-ethylhexanoate
SMILESCCCCC(CC)C(=O)Oc1ncc[nH]1
InChIInChI=1S/C11H18N2O2/c1-3-5-6-9(4-2)10(14)15-11-12-7-8-13-11/h7-9H,3-6H2,1-2H3,(H,12,13)
InChIKeyYCOXEPWLKUNRRK-UHFFFAOYSA-N
XLogP2.53
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1H-imidazol-2-yl 2-ethylhexanoate?
The IUPAC name of 1H-imidazol-2-yl 2-ethylhexanoate (CID 166514820) is 1H-imidazol-2-yl 2-ethylhexanoate.
What is the SMILES notation for 1H-imidazol-2-yl 2-ethylhexanoate?
The canonical SMILES for 1H-imidazol-2-yl 2-ethylhexanoate is CCCCC(CC)C(=O)Oc1ncc[nH]1.
What is the InChIKey of 1H-imidazol-2-yl 2-ethylhexanoate?
The InChIKey is YCOXEPWLKUNRRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-3-5-6-9(4-2)10(14)15-11-12-7-8-13-11/h7-9H,3-6H2,1-2H3,(H,12,13).
What are the key properties of 1H-imidazol-2-yl 2-ethylhexanoate?
1H-imidazol-2-yl 2-ethylhexanoate has a molecular weight of 210.28 g/mol, XLogP of 2.53, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-imidazol-2-yl 2-ethylhexanoate is sourced from PubChem (CID 166514820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).