diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate

C12H18N2O4 — CID 10286015

IUPACdiethyl 2-propyl-1H-imidazole-4,5-dicarboxylate
SMILESCCCc1nc(C(=O)OCC)c(C(=O)OCC)[nH]1
InChIInChI=1S/C12H18N2O4/c1-4-7-8-13-9(11(15)17-5-2)10(14-8)12(16)18-6-3/h4-7H2,1-3H3,(H,13,14)
InChIKeyZQPMIDPIXSMOAD-UHFFFAOYSA-N
MW254.29 g/mol
LogP1.72
Rot. Bonds6

About diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate

diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate (PubChem CID 10286015) has the molecular formula C12H18N2O4 and a molecular weight of 254.29 g/mol. Its IUPAC name is diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate.

Molecular Properties

Compound Namediethyl 2-propyl-1H-imidazole-4,5-dicarboxylate
PubChem CID10286015
Molecular FormulaC12H18N2O4
Molecular Weight254.29 g/mol
Exact Mass254.13
IUPAC Namediethyl 2-propyl-1H-imidazole-4,5-dicarboxylate
SMILESCCCc1nc(C(=O)OCC)c(C(=O)OCC)[nH]1
InChIInChI=1S/C12H18N2O4/c1-4-7-8-13-9(11(15)17-5-2)10(14-8)12(16)18-6-3/h4-7H2,1-3H3,(H,13,14)
InChIKeyZQPMIDPIXSMOAD-UHFFFAOYSA-N
XLogP1.72
TPSA81.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate?
The IUPAC name of diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate (CID 10286015) is diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate.
What is the SMILES notation for diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate?
The canonical SMILES for diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate is CCCc1nc(C(=O)OCC)c(C(=O)OCC)[nH]1.
What is the InChIKey of diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate?
The InChIKey is ZQPMIDPIXSMOAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O4/c1-4-7-8-13-9(11(15)17-5-2)10(14-8)12(16)18-6-3/h4-7H2,1-3H3,(H,13,14).
What are the key properties of diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate?
diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate has a molecular weight of 254.29 g/mol, XLogP of 1.72, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for diethyl 2-propyl-1H-imidazole-4,5-dicarboxylate is sourced from PubChem (CID 10286015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).