sodium tetra(imidazol-1-yl)boranuide

C12H12BN8Na — CID 23681131

IUPACsodium tetra(imidazol-1-yl)boranuide
SMILES[Na+].c1cn([B-](n2ccnc2)(n2ccnc2)n2ccnc2)cn1
InChIInChI=1S/C12H12BN8.Na/c1-5-18(9-14-1)13(19-6-2-15-10-19,20-7-3-16-11-20)21-8-4-17-12-21;/h1-12H;/q-1;+1
InChIKeyOVRFSDYWKKOQMW-UHFFFAOYSA-N
MW302.09 g/mol
LogP-2.59
Rot. Bonds4

About sodium tetra(imidazol-1-yl)boranuide

sodium tetra(imidazol-1-yl)boranuide (PubChem CID 23681131) has the molecular formula C12H12BN8Na and a molecular weight of 302.09 g/mol. Its IUPAC name is sodium tetra(imidazol-1-yl)boranuide.

Molecular Properties

Compound Namesodium tetra(imidazol-1-yl)boranuide
PubChem CID23681131
Molecular FormulaC12H12BN8Na
Molecular Weight302.09 g/mol
Exact Mass302.12
IUPAC Namesodium tetra(imidazol-1-yl)boranuide
SMILES[Na+].c1cn([B-](n2ccnc2)(n2ccnc2)n2ccnc2)cn1
InChIInChI=1S/C12H12BN8.Na/c1-5-18(9-14-1)13(19-6-2-15-10-19,20-7-3-16-11-20)21-8-4-17-12-21;/h1-12H;/q-1;+1
InChIKeyOVRFSDYWKKOQMW-UHFFFAOYSA-N
XLogP-2.59
TPSA71.28 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.09
LogP ≤ 5-2.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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 sodium tetra(imidazol-1-yl)boranuide?
The IUPAC name of sodium tetra(imidazol-1-yl)boranuide (CID 23681131) is sodium tetra(imidazol-1-yl)boranuide.
What is the SMILES notation for sodium tetra(imidazol-1-yl)boranuide?
The canonical SMILES for sodium tetra(imidazol-1-yl)boranuide is [Na+].c1cn([B-](n2ccnc2)(n2ccnc2)n2ccnc2)cn1.
What is the InChIKey of sodium tetra(imidazol-1-yl)boranuide?
The InChIKey is OVRFSDYWKKOQMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12BN8.Na/c1-5-18(9-14-1)13(19-6-2-15-10-19,20-7-3-16-11-20)21-8-4-17-12-21;/h1-12H;/q-1;+1.
What are the key properties of sodium tetra(imidazol-1-yl)boranuide?
sodium tetra(imidazol-1-yl)boranuide has a molecular weight of 302.09 g/mol, XLogP of -2.59, 4 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for sodium tetra(imidazol-1-yl)boranuide is sourced from PubChem (CID 23681131), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).