ethyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate

C11H18N2O3 — CID 10823124

IUPACethyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)[nH]c1C(C)(C)O
InChIInChI=1S/C11H18N2O3/c1-5-7-12-8(10(14)16-6-2)9(13-7)11(3,4)15/h15H,5-6H2,1-4H3,(H,12,13)
InChIKeyYJOKBXJEPBIIEA-UHFFFAOYSA-N
MW226.28 g/mol
LogP1.38
Rot. Bonds4

About ethyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate

ethyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate (PubChem CID 10823124) has the molecular formula C11H18N2O3 and a molecular weight of 226.28 g/mol. Its IUPAC name is ethyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate
PubChem CID10823124
Molecular FormulaC11H18N2O3
Molecular Weight226.28 g/mol
Exact Mass226.13
IUPAC Nameethyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate
SMILESCCOC(=O)c1nc(CC)[nH]c1C(C)(C)O
InChIInChI=1S/C11H18N2O3/c1-5-7-12-8(10(14)16-6-2)9(13-7)11(3,4)15/h15H,5-6H2,1-4H3,(H,12,13)
InChIKeyYJOKBXJEPBIIEA-UHFFFAOYSA-N
XLogP1.38
TPSA75.21 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of ethyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate?
The IUPAC name of ethyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate (CID 10823124) is ethyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate.
What is the SMILES notation for ethyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate?
The canonical SMILES for ethyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate is CCOC(=O)c1nc(CC)[nH]c1C(C)(C)O.
What is the InChIKey of ethyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate?
The InChIKey is YJOKBXJEPBIIEA-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O3/c1-5-7-12-8(10(14)16-6-2)9(13-7)11(3,4)15/h15H,5-6H2,1-4H3,(H,12,13).
What are the key properties of ethyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate?
ethyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate has a molecular weight of 226.28 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-ethyl-5-(2-hydroxypropan-2-yl)-1H-imidazole-4-carboxylate is sourced from PubChem (CID 10823124), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).