1,2-dihydrobenzimidazol-2-ide;gold(1+)

C7H5AuN2 — CID 174852553

IUPAC1,2-dihydrobenzimidazol-2-ide;gold(1+)
SMILES[Au+].[c-]1nc2ccccc2[nH]1
InChIInChI=1S/C7H5N2.Au/c1-2-4-7-6(3-1)8-5-9-7;/h1-4H,(H,8,9);/q-1;+1
InChIKeyUIPPAXNFISBHMA-UHFFFAOYSA-N
MW314.10 g/mol
LogP1.36
Rot. Bonds

About 1,2-dihydrobenzimidazol-2-ide;gold(1+)

1,2-dihydrobenzimidazol-2-ide;gold(1+) (PubChem CID 174852553) has the molecular formula C7H5AuN2 and a molecular weight of 314.10 g/mol. Its IUPAC name is 1,2-dihydrobenzimidazol-2-ide;gold(1+).

Molecular Properties

Compound Name1,2-dihydrobenzimidazol-2-ide;gold(1+)
PubChem CID174852553
Molecular FormulaC7H5AuN2
Molecular Weight314.10 g/mol
Exact Mass314.01
IUPAC Name1,2-dihydrobenzimidazol-2-ide;gold(1+)
SMILES[Au+].[c-]1nc2ccccc2[nH]1
InChIInChI=1S/C7H5N2.Au/c1-2-4-7-6(3-1)8-5-9-7;/h1-4H,(H,8,9);/q-1;+1
InChIKeyUIPPAXNFISBHMA-UHFFFAOYSA-N
XLogP1.36
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.10
LogP ≤ 51.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

1h-Benzimidazolium chloride
CID 42917110
1-(2-Aminophenyl)-4,5-dihydroimidazol-2-amine
CID 12257384
Phenyliminoimidazoline
CID 18522105
Phenylenebiscyanamide
CID 20437135
1-oxido-1H-benzimidazol-1-ium
CID 22923223
2-Aminophenylcyanamide
CID 23459373
Benzo[1,3,5]triazepine
CID 69452549
2-Sodiobenzimidazole
CID 87410409
Benzimidazole 1,3-dioxide
CID 88217898
N'-[(Z)-2-amino-1,2-dicyanoethenyl]-N-(2-aminophenyl)methanimidamide
CID 5468436
2-(difluoromethyl)-1H-benzimidazol-1-ium
CID 156621785
1H-benzimidazol-1-ium
CID 4569300

Frequently Asked Questions

What is the IUPAC name of 1,2-dihydrobenzimidazol-2-ide;gold(1+)?
The IUPAC name of 1,2-dihydrobenzimidazol-2-ide;gold(1+) (CID 174852553) is 1,2-dihydrobenzimidazol-2-ide;gold(1+).
What is the SMILES notation for 1,2-dihydrobenzimidazol-2-ide;gold(1+)?
The canonical SMILES for 1,2-dihydrobenzimidazol-2-ide;gold(1+) is [Au+].[c-]1nc2ccccc2[nH]1.
What is the InChIKey of 1,2-dihydrobenzimidazol-2-ide;gold(1+)?
The InChIKey is UIPPAXNFISBHMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N2.Au/c1-2-4-7-6(3-1)8-5-9-7;/h1-4H,(H,8,9);/q-1;+1.
What are the key properties of 1,2-dihydrobenzimidazol-2-ide;gold(1+)?
1,2-dihydrobenzimidazol-2-ide;gold(1+) has a molecular weight of 314.10 g/mol, XLogP of 1.36, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydrobenzimidazol-2-ide;gold(1+) is sourced from PubChem (CID 174852553), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).