imidazol-2-ylidene borane

C3H2BN2 — CID 139954005

IUPAC—
SMILES[B]=C1N=CC=N1
InChIInChI=1S/C3H2BN2/c4-3-5-1-2-6-3/h1-2H
InChIKeyCFNKDQWDWBQWGT-UHFFFAOYSA-N
MW76.88 g/mol
LogP-0.60
Rot. Bonds

About imidazol-2-ylidene borane

imidazol-2-ylidene borane (PubChem CID 139954005) has the molecular formula C3H2BN2 and a molecular weight of 76.88 g/mol.

Molecular Properties

Compound Nameimidazol-2-ylidene borane
PubChem CID139954005
Molecular FormulaC3H2BN2
Molecular Weight76.88 g/mol
Exact Mass77.03
IUPAC Name—
SMILES[B]=C1N=CC=N1
InChIInChI=1S/C3H2BN2/c4-3-5-1-2-6-3/h1-2H
InChIKeyCFNKDQWDWBQWGT-UHFFFAOYSA-N
XLogP-0.60
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms6
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 50076.88
LogP ≤ 5-0.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 imidazol-2-ylidene borane?
The IUPAC name of imidazol-2-ylidene borane (CID 139954005) is not available.
What is the SMILES notation for imidazol-2-ylidene borane?
The canonical SMILES for imidazol-2-ylidene borane is [B]=C1N=CC=N1.
What is the InChIKey of imidazol-2-ylidene borane?
The InChIKey is CFNKDQWDWBQWGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H2BN2/c4-3-5-1-2-6-3/h1-2H.
What are the key properties of imidazol-2-ylidene borane?
imidazol-2-ylidene borane has a molecular weight of 76.88 g/mol, XLogP of -0.60, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for imidazol-2-ylidene borane is sourced from PubChem (CID 139954005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).