ethyl 2-(5-methyl-1H-imidazol-2-yl)pentanoate

C11H18N2O2 — CID 20518041

IUPACethyl 2-(5-methyl-1H-imidazol-2-yl)pentanoate
SMILESCCCC(C(=O)OCC)c1ncc(C)[nH]1
InChIInChI=1S/C11H18N2O2/c1-4-6-9(11(14)15-5-2)10-12-7-8(3)13-10/h7,9H,4-6H2,1-3H3,(H,12,13)
InChIKeyGQIKSUZQJSQZDB-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.16
Rot. Bonds5

About ethyl 2-(5-methyl-1H-imidazol-2-yl)pentanoate

ethyl 2-(5-methyl-1H-imidazol-2-yl)pentanoate (PubChem CID 20518041) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl 2-(5-methyl-1H-imidazol-2-yl)pentanoate.

Molecular Properties

Compound Nameethyl 2-(5-methyl-1H-imidazol-2-yl)pentanoate
PubChem CID20518041
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl 2-(5-methyl-1H-imidazol-2-yl)pentanoate
SMILESCCCC(C(=O)OCC)c1ncc(C)[nH]1
InChIInChI=1S/C11H18N2O2/c1-4-6-9(11(14)15-5-2)10-12-7-8(3)13-10/h7,9H,4-6H2,1-3H3,(H,12,13)
InChIKeyGQIKSUZQJSQZDB-UHFFFAOYSA-N
XLogP2.16
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-(5-methyl-1H-imidazol-2-yl)pentanoate?
The IUPAC name of ethyl 2-(5-methyl-1H-imidazol-2-yl)pentanoate (CID 20518041) is ethyl 2-(5-methyl-1H-imidazol-2-yl)pentanoate.
What is the SMILES notation for ethyl 2-(5-methyl-1H-imidazol-2-yl)pentanoate?
The canonical SMILES for ethyl 2-(5-methyl-1H-imidazol-2-yl)pentanoate is CCCC(C(=O)OCC)c1ncc(C)[nH]1.
What is the InChIKey of ethyl 2-(5-methyl-1H-imidazol-2-yl)pentanoate?
The InChIKey is GQIKSUZQJSQZDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-6-9(11(14)15-5-2)10-12-7-8(3)13-10/h7,9H,4-6H2,1-3H3,(H,12,13).
What are the key properties of ethyl 2-(5-methyl-1H-imidazol-2-yl)pentanoate?
ethyl 2-(5-methyl-1H-imidazol-2-yl)pentanoate has a molecular weight of 210.28 g/mol, XLogP of 2.16, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(5-methyl-1H-imidazol-2-yl)pentanoate is sourced from PubChem (CID 20518041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).