1,2-dihydrobenzimidazol-2-ide;pyridine;titanium(4+);tetrachloride

C12H10Cl4N3Ti- — CID 173061111

IUPAC1,2-dihydrobenzimidazol-2-ide;pyridine;titanium(4+);tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4].[c-]1nc2ccccc2[nH]1.c1ccncc1
InChIInChI=1S/C7H5N2.C5H5N.4ClH.Ti/c1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;;;;;/h1-4H,(H,8,9);1-5H;4*1H;/q-1;;;;;;+4/p-4
InChIKeyINCAENOGOWDHNL-UHFFFAOYSA-J
MW385.91 g/mol
LogP-9.54
Rot. Bonds

About 1,2-dihydrobenzimidazol-2-ide;pyridine;titanium(4+);tetrachloride

1,2-dihydrobenzimidazol-2-ide;pyridine;titanium(4+);tetrachloride (PubChem CID 173061111) has the molecular formula C12H10Cl4N3Ti- and a molecular weight of 385.91 g/mol. Its IUPAC name is 1,2-dihydrobenzimidazol-2-ide;pyridine;titanium(4+);tetrachloride.

Molecular Properties

Compound Name1,2-dihydrobenzimidazol-2-ide;pyridine;titanium(4+);tetrachloride
PubChem CID173061111
Molecular FormulaC12H10Cl4N3Ti-
Molecular Weight385.91 g/mol
Exact Mass383.91
IUPAC Name1,2-dihydrobenzimidazol-2-ide;pyridine;titanium(4+);tetrachloride
SMILES[Cl-].[Cl-].[Cl-].[Cl-].[Ti+4].[c-]1nc2ccccc2[nH]1.c1ccncc1
InChIInChI=1S/C7H5N2.C5H5N.4ClH.Ti/c1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;;;;;/h1-4H,(H,8,9);1-5H;4*1H;/q-1;;;;;;+4/p-4
InChIKeyINCAENOGOWDHNL-UHFFFAOYSA-J
XLogP-9.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.91
LogP ≤ 5-9.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 1,2-dihydrobenzimidazol-2-ide;pyridine;titanium(4+);tetrachloride?
The IUPAC name of 1,2-dihydrobenzimidazol-2-ide;pyridine;titanium(4+);tetrachloride (CID 173061111) is 1,2-dihydrobenzimidazol-2-ide;pyridine;titanium(4+);tetrachloride.
What is the SMILES notation for 1,2-dihydrobenzimidazol-2-ide;pyridine;titanium(4+);tetrachloride?
The canonical SMILES for 1,2-dihydrobenzimidazol-2-ide;pyridine;titanium(4+);tetrachloride is [Cl-].[Cl-].[Cl-].[Cl-].[Ti+4].[c-]1nc2ccccc2[nH]1.c1ccncc1.
What is the InChIKey of 1,2-dihydrobenzimidazol-2-ide;pyridine;titanium(4+);tetrachloride?
The InChIKey is INCAENOGOWDHNL-UHFFFAOYSA-J. The full InChI is InChI=1S/C7H5N2.C5H5N.4ClH.Ti/c1-2-4-7-6(3-1)8-5-9-7;1-2-4-6-5-3-1;;;;;/h1-4H,(H,8,9);1-5H;4*1H;/q-1;;;;;;+4/p-4.
What are the key properties of 1,2-dihydrobenzimidazol-2-ide;pyridine;titanium(4+);tetrachloride?
1,2-dihydrobenzimidazol-2-ide;pyridine;titanium(4+);tetrachloride has a molecular weight of 385.91 g/mol, XLogP of -9.54, 0 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-dihydrobenzimidazol-2-ide;pyridine;titanium(4+);tetrachloride is sourced from PubChem (CID 173061111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).