bis(4,5-dihydroimidazol-1-yloxy)borinic acid

C6H11BN4O3 — CID 174665763

IUPACbis(4,5-dihydroimidazol-1-yloxy)borinic acid
SMILESOB(ON1C=NCC1)ON1C=NCC1
InChIInChI=1S/C6H11BN4O3/c12-7(13-10-3-1-8-5-10)14-11-4-2-9-6-11/h5-6,12H,1-4H2
InChIKeyWMORPBXSNXSCTK-UHFFFAOYSA-N
MW197.99 g/mol
LogP-1.49
Rot. Bonds4

About bis(4,5-dihydroimidazol-1-yloxy)borinic acid

bis(4,5-dihydroimidazol-1-yloxy)borinic acid (PubChem CID 174665763) has the molecular formula C6H11BN4O3 and a molecular weight of 197.99 g/mol. Its IUPAC name is bis(4,5-dihydroimidazol-1-yloxy)borinic acid.

Molecular Properties

Compound Namebis(4,5-dihydroimidazol-1-yloxy)borinic acid
PubChem CID174665763
Molecular FormulaC6H11BN4O3
Molecular Weight197.99 g/mol
Exact Mass198.09
IUPAC Namebis(4,5-dihydroimidazol-1-yloxy)borinic acid
SMILESOB(ON1C=NCC1)ON1C=NCC1
InChIInChI=1S/C6H11BN4O3/c12-7(13-10-3-1-8-5-10)14-11-4-2-9-6-11/h5-6,12H,1-4H2
InChIKeyWMORPBXSNXSCTK-UHFFFAOYSA-N
XLogP-1.49
TPSA69.89 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.99
LogP ≤ 5-1.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'heavy_metal', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of bis(4,5-dihydroimidazol-1-yloxy)borinic acid?
The IUPAC name of bis(4,5-dihydroimidazol-1-yloxy)borinic acid (CID 174665763) is bis(4,5-dihydroimidazol-1-yloxy)borinic acid.
What is the SMILES notation for bis(4,5-dihydroimidazol-1-yloxy)borinic acid?
The canonical SMILES for bis(4,5-dihydroimidazol-1-yloxy)borinic acid is OB(ON1C=NCC1)ON1C=NCC1.
What is the InChIKey of bis(4,5-dihydroimidazol-1-yloxy)borinic acid?
The InChIKey is WMORPBXSNXSCTK-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11BN4O3/c12-7(13-10-3-1-8-5-10)14-11-4-2-9-6-11/h5-6,12H,1-4H2.
What are the key properties of bis(4,5-dihydroimidazol-1-yloxy)borinic acid?
bis(4,5-dihydroimidazol-1-yloxy)borinic acid has a molecular weight of 197.99 g/mol, XLogP of -1.49, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for bis(4,5-dihydroimidazol-1-yloxy)borinic acid is sourced from PubChem (CID 174665763), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).