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

C16H26N4O6 — CID 174589905

IUPACbis[1-(3-methyl-2H-imidazol-1-yl)ethyl] 2,3-dihydroxybutanedioate
SMILESCC(OC(=O)C(O)C(O)C(=O)OC(C)N1C=CN(C)C1)N1C=CN(C)C1
InChIInChI=1S/C16H26N4O6/c1-11(19-7-5-17(3)9-19)25-15(23)13(21)14(22)16(24)26-12(2)20-8-6-18(4)10-20/h5-8,11-14,21-22H,9-10H2,1-4H3
InChIKeyCRARVYSPWUAKFU-UHFFFAOYSA-N
MW370.41 g/mol
LogP-1.16
Rot. Bonds7

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

bis[1-(3-methyl-2H-imidazol-1-yl)ethyl] 2,3-dihydroxybutanedioate (PubChem CID 174589905) has the molecular formula C16H26N4O6 and a molecular weight of 370.41 g/mol. Its IUPAC name is bis[1-(3-methyl-2H-imidazol-1-yl)ethyl] 2,3-dihydroxybutanedioate.

Molecular Properties

Compound Namebis[1-(3-methyl-2H-imidazol-1-yl)ethyl] 2,3-dihydroxybutanedioate
PubChem CID174589905
Molecular FormulaC16H26N4O6
Molecular Weight370.41 g/mol
Exact Mass370.19
IUPAC Namebis[1-(3-methyl-2H-imidazol-1-yl)ethyl] 2,3-dihydroxybutanedioate
SMILESCC(OC(=O)C(O)C(O)C(=O)OC(C)N1C=CN(C)C1)N1C=CN(C)C1
InChIInChI=1S/C16H26N4O6/c1-11(19-7-5-17(3)9-19)25-15(23)13(21)14(22)16(24)26-12(2)20-8-6-18(4)10-20/h5-8,11-14,21-22H,9-10H2,1-4H3
InChIKeyCRARVYSPWUAKFU-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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Related Compounds

methyl 2,2-bis(3-methyl-2H-imidazol-1-yl)acetate
CID 123407176
1-(3-methyl-2H-imidazol-1-yl)ethanol;hydrate
CID 175390691
sulfo 2-(3-methyl-2H-imidazol-1-yl)propanoate
CID 174907943
1,3-dimethyl-2H-imidazole;ethane-1,1-diol;rhodium(2+);diiodide
CID 171376624
1,3-dimethyl-2H-imidazole;ethyl 2-hydroxypropanoate
CID 174890882
ethyl 2-(3-methyl-2H-imidazol-1-yl)butanoate
CID 18624583
dimethyl carbonate;1,3-dimethyl-2H-imidazole
CID 175750899
1-O-(1-hydroxyethyl) 2-O-(3-methyl-2H-imidazol-1-yl) oxalate
CID 175020689
1-(difluoromethyl)-3-methyl-2H-imidazole;hydrobromide;hydrochloride
CID 175693926
1,3-dimethyl-2H-imidazole hexafluorophosphate
CID 158907533
1-methyl-3-(1,2,2-trifluoroethyl)-2H-imidazole
CID 175549515
2-hydroxypropanoic acid;1-methyl-3-[1-(3-methyl-2H-imidazol-1-yl)ethenyl]-2H-imidazole
CID 175104809

Frequently Asked Questions

What is the IUPAC name of bis[1-(3-methyl-2H-imidazol-1-yl)ethyl] 2,3-dihydroxybutanedioate?
The IUPAC name of bis[1-(3-methyl-2H-imidazol-1-yl)ethyl] 2,3-dihydroxybutanedioate (CID 174589905) is bis[1-(3-methyl-2H-imidazol-1-yl)ethyl] 2,3-dihydroxybutanedioate.
What is the SMILES notation for bis[1-(3-methyl-2H-imidazol-1-yl)ethyl] 2,3-dihydroxybutanedioate?
The canonical SMILES for bis[1-(3-methyl-2H-imidazol-1-yl)ethyl] 2,3-dihydroxybutanedioate is CC(OC(=O)C(O)C(O)C(=O)OC(C)N1C=CN(C)C1)N1C=CN(C)C1.
What is the InChIKey of bis[1-(3-methyl-2H-imidazol-1-yl)ethyl] 2,3-dihydroxybutanedioate?
The InChIKey is CRARVYSPWUAKFU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N4O6/c1-11(19-7-5-17(3)9-19)25-15(23)13(21)14(22)16(24)26-12(2)20-8-6-18(4)10-20/h5-8,11-14,21-22H,9-10H2,1-4H3.
What are the key properties of bis[1-(3-methyl-2H-imidazol-1-yl)ethyl] 2,3-dihydroxybutanedioate?
bis[1-(3-methyl-2H-imidazol-1-yl)ethyl] 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-(3-methyl-2H-imidazol-1-yl)ethyl] 2,3-dihydroxybutanedioate is sourced from PubChem (CID 174589905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).