bis(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,3-dihydroxybutanedioate

C16H26N4O6 — CID 68743808

IUPACbis(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,3-dihydroxybutanedioate
SMILESCCN1C=CN(C)C1OC(=O)C(O)C(O)C(=O)OC1N(C)C=CN1CC
InChIInChI=1S/C16H26N4O6/c1-5-19-9-7-17(3)15(19)25-13(23)11(21)12(22)14(24)26-16-18(4)8-10-20(16)6-2/h7-12,15-16,21-22H,5-6H2,1-4H3
InChIKeyYFFWIJBOVMXCMC-UHFFFAOYSA-N
MW370.41 g/mol
LogP-1.16
Rot. Bonds7

About bis(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,3-dihydroxybutanedioate

bis(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,3-dihydroxybutanedioate (PubChem CID 68743808) has the molecular formula C16H26N4O6 and a molecular weight of 370.41 g/mol. Its IUPAC name is bis(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,3-dihydroxybutanedioate.

Molecular Properties

Compound Namebis(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,3-dihydroxybutanedioate
PubChem CID68743808
Molecular FormulaC16H26N4O6
Molecular Weight370.41 g/mol
Exact Mass370.19
IUPAC Namebis(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,3-dihydroxybutanedioate
SMILESCCN1C=CN(C)C1OC(=O)C(O)C(O)C(=O)OC1N(C)C=CN1CC
InChIInChI=1S/C16H26N4O6/c1-5-19-9-7-17(3)15(19)25-13(23)11(21)12(22)14(24)26-16-18(4)8-10-20(16)6-2/h7-12,15-16,21-22H,5-6H2,1-4H3
InChIKeyYFFWIJBOVMXCMC-UHFFFAOYSA-N
XLogP-1.16
TPSA106.02 Ų
H-Bond Donors2
H-Bond Acceptors10
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.41
LogP ≤ 5-1.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of bis(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,3-dihydroxybutanedioate?
The IUPAC name of bis(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,3-dihydroxybutanedioate (CID 68743808) is bis(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,3-dihydroxybutanedioate.
What is the SMILES notation for bis(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,3-dihydroxybutanedioate?
The canonical SMILES for bis(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,3-dihydroxybutanedioate is CCN1C=CN(C)C1OC(=O)C(O)C(O)C(=O)OC1N(C)C=CN1CC.
What is the InChIKey of bis(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,3-dihydroxybutanedioate?
The InChIKey is YFFWIJBOVMXCMC-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O6/c1-5-19-9-7-17(3)15(19)25-13(23)11(21)12(22)14(24)26-16-18(4)8-10-20(16)6-2/h7-12,15-16,21-22H,5-6H2,1-4H3.
What are the key properties of bis(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,3-dihydroxybutanedioate?
bis(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,3-dihydroxybutanedioate has a molecular weight of 370.41 g/mol, XLogP of -1.16, 7 rotatable bonds, 2 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for bis(1-ethyl-3-methyl-2H-imidazol-2-yl) 2,3-dihydroxybutanedioate is sourced from PubChem (CID 68743808), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).