1H-1,2-benzodiazepine;gold

C9H8AuN2 — CID 159730285

IUPAC1H-1,2-benzodiazepine;gold
SMILESC1=Cc2ccccc2NN=C1.[Au]
InChIInChI=1S/C9H8N2.Au/c1-2-6-9-8(4-1)5-3-7-10-11-9;/h1-7,11H;
InChIKeyNBDQVCXGJPYKPG-UHFFFAOYSA-N
MW341.14 g/mol
LogP2.11
Rot. Bonds

About 1H-1,2-benzodiazepine;gold

1H-1,2-benzodiazepine;gold (PubChem CID 159730285) has the molecular formula C9H8AuN2 and a molecular weight of 341.14 g/mol. Its IUPAC name is 1H-1,2-benzodiazepine;gold.

Molecular Properties

Compound Name1H-1,2-benzodiazepine;gold
PubChem CID159730285
Molecular FormulaC9H8AuN2
Molecular Weight341.14 g/mol
Exact Mass341.04
IUPAC Name1H-1,2-benzodiazepine;gold
SMILESC1=Cc2ccccc2NN=C1.[Au]
InChIInChI=1S/C9H8N2.Au/c1-2-6-9-8(4-1)5-3-7-10-11-9;/h1-7,11H;
InChIKeyNBDQVCXGJPYKPG-UHFFFAOYSA-N
XLogP2.11
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.14
LogP ≤ 52.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 1H-1,2-benzodiazepine;gold?
The IUPAC name of 1H-1,2-benzodiazepine;gold (CID 159730285) is 1H-1,2-benzodiazepine;gold.
What is the SMILES notation for 1H-1,2-benzodiazepine;gold?
The canonical SMILES for 1H-1,2-benzodiazepine;gold is C1=Cc2ccccc2NN=C1.[Au].
What is the InChIKey of 1H-1,2-benzodiazepine;gold?
The InChIKey is NBDQVCXGJPYKPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H8N2.Au/c1-2-6-9-8(4-1)5-3-7-10-11-9;/h1-7,11H;.
What are the key properties of 1H-1,2-benzodiazepine;gold?
1H-1,2-benzodiazepine;gold has a molecular weight of 341.14 g/mol, XLogP of 2.11, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-1,2-benzodiazepine;gold is sourced from PubChem (CID 159730285), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).