ethyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate

C11H18N2O2 — CID 15379914

IUPACethyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate
SMILESCCCc1nc(C(=O)OCC)c(CC)[nH]1
InChIInChI=1S/C11H18N2O2/c1-4-7-9-12-8(5-2)10(13-9)11(14)15-6-3/h4-7H2,1-3H3,(H,12,13)
InChIKeyGUBXHDUWNNWMKP-UHFFFAOYSA-N
MW210.28 g/mol
LogP2.10
Rot. Bonds5

About ethyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate

ethyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate (PubChem CID 15379914) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is ethyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate
PubChem CID15379914
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Nameethyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate
SMILESCCCc1nc(C(=O)OCC)c(CC)[nH]1
InChIInChI=1S/C11H18N2O2/c1-4-7-9-12-8(5-2)10(13-9)11(14)15-6-3/h4-7H2,1-3H3,(H,12,13)
InChIKeyGUBXHDUWNNWMKP-UHFFFAOYSA-N
XLogP2.10
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 ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate?
The IUPAC name of ethyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate (CID 15379914) is ethyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for ethyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate?
The canonical SMILES for ethyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate is CCCc1nc(C(=O)OCC)c(CC)[nH]1.
What is the InChIKey of ethyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate?
The InChIKey is GUBXHDUWNNWMKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-4-7-9-12-8(5-2)10(13-9)11(14)15-6-3/h4-7H2,1-3H3,(H,12,13).
What are the key properties of ethyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate?
ethyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate has a molecular weight of 210.28 g/mol, XLogP of 2.10, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 5-ethyl-2-propyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 15379914), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).