ethyl 2,5-diethyl-1H-imidazole-4-carboxylate

C10H16N2O2 — CID 18950827

IUPACethyl 2,5-diethyl-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)[nH]c1CC
InChIInChI=1S/C10H16N2O2/c1-4-7-9(10(13)14-6-3)12-8(5-2)11-7/h4-6H2,1-3H3,(H,11,12)
InChIKeyMUYUUSBSJHASNZ-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.71
Rot. Bonds4

About ethyl 2,5-diethyl-1H-imidazole-4-carboxylate

ethyl 2,5-diethyl-1H-imidazole-4-carboxylate (PubChem CID 18950827) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is ethyl 2,5-diethyl-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2,5-diethyl-1H-imidazole-4-carboxylate
PubChem CID18950827
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Nameethyl 2,5-diethyl-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)[nH]c1CC
InChIInChI=1S/C10H16N2O2/c1-4-7-9(10(13)14-6-3)12-8(5-2)11-7/h4-6H2,1-3H3,(H,11,12)
InChIKeyMUYUUSBSJHASNZ-UHFFFAOYSA-N
XLogP1.71
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of ethyl 2,5-diethyl-1H-imidazole-4-carboxylate?
The IUPAC name of ethyl 2,5-diethyl-1H-imidazole-4-carboxylate (CID 18950827) is ethyl 2,5-diethyl-1H-imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2,5-diethyl-1H-imidazole-4-carboxylate?
The canonical SMILES for ethyl 2,5-diethyl-1H-imidazole-4-carboxylate is CCOC(=O)c1nc(CC)[nH]c1CC.
What is the InChIKey of ethyl 2,5-diethyl-1H-imidazole-4-carboxylate?
The InChIKey is MUYUUSBSJHASNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-4-7-9(10(13)14-6-3)12-8(5-2)11-7/h4-6H2,1-3H3,(H,11,12).
What are the key properties of ethyl 2,5-diethyl-1H-imidazole-4-carboxylate?
ethyl 2,5-diethyl-1H-imidazole-4-carboxylate has a molecular weight of 196.25 g/mol, XLogP of 1.71, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,5-diethyl-1H-imidazole-4-carboxylate is sourced from PubChem (CID 18950827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).