lithium 1,2-dihydrobenzimidazol-2-ide

C7H5LiN2 — CID 140676611

IUPAClithium 1,2-dihydrobenzimidazol-2-ide
SMILES[Li+].[c-]1nc2ccccc2[nH]1
InChIInChI=1S/C7H5N2.Li/c1-2-4-7-6(3-1)8-5-9-7;/h1-4H,(H,8,9);/q-1;+1
InChIKeyNCMPEOVLKGQPOU-UHFFFAOYSA-N
MW124.07 g/mol
LogP-1.63
Rot. Bonds

About lithium 1,2-dihydrobenzimidazol-2-ide

lithium 1,2-dihydrobenzimidazol-2-ide (PubChem CID 140676611) has the molecular formula C7H5LiN2 and a molecular weight of 124.07 g/mol. Its IUPAC name is lithium 1,2-dihydrobenzimidazol-2-ide.

Molecular Properties

Compound Namelithium 1,2-dihydrobenzimidazol-2-ide
PubChem CID140676611
Molecular FormulaC7H5LiN2
Molecular Weight124.07 g/mol
Exact Mass124.06
IUPAC Namelithium 1,2-dihydrobenzimidazol-2-ide
SMILES[Li+].[c-]1nc2ccccc2[nH]1
InChIInChI=1S/C7H5N2.Li/c1-2-4-7-6(3-1)8-5-9-7;/h1-4H,(H,8,9);/q-1;+1
InChIKeyNCMPEOVLKGQPOU-UHFFFAOYSA-N
XLogP-1.63
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500124.07
LogP ≤ 5-1.63
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

1,2-dihydrobenzimidazol-2-ide;gold(1+)
CID 174852553
1,2-dihydrobenzimidazol-2-ide;pyridine;titanium(4+);tetrachloride
CID 173061111
butane;carbanide;2,3-dihydroquinazolin-2-id-4-one;tris(yttrium)
CID 159837740
2-chloro-1H-benzimidazole;methane
CID 143998416
bis(1H-benzimidazole);hydrate
CID 23293238
1H-benzimidazole;manganese
CID 158140840
disilver;1H-benzimidazole
CID 21437015
bis(1H-benzimidazole);hydrochloride
CID 163717509
1H-benzimidazole;zinc
CID 162235320
bis(1H-benzimidazol-2-yl)methanol
CID 3747179
2-propan-2-yl-1H-benzimidazole
CID 22121
2-(benzotriazol-2-yldisulfanyl)benzotriazole
CID 118249510

Frequently Asked Questions

What is the IUPAC name of lithium 1,2-dihydrobenzimidazol-2-ide?
The IUPAC name of lithium 1,2-dihydrobenzimidazol-2-ide (CID 140676611) is lithium 1,2-dihydrobenzimidazol-2-ide.
What is the SMILES notation for lithium 1,2-dihydrobenzimidazol-2-ide?
The canonical SMILES for lithium 1,2-dihydrobenzimidazol-2-ide is [Li+].[c-]1nc2ccccc2[nH]1.
What is the InChIKey of lithium 1,2-dihydrobenzimidazol-2-ide?
The InChIKey is NCMPEOVLKGQPOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H5N2.Li/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 lithium 1,2-dihydrobenzimidazol-2-ide?
lithium 1,2-dihydrobenzimidazol-2-ide has a molecular weight of 124.07 g/mol, XLogP of -1.63, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for lithium 1,2-dihydrobenzimidazol-2-ide is sourced from PubChem (CID 140676611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).