1-methylimidazole;tetrachlorotitanium

C4H6Cl4N2Ti — CID 174841078

IUPAC1-methylimidazole;tetrachlorotitanium
SMILESCl[Ti](Cl)(Cl)Cl.Cn1ccnc1
InChIInChI=1S/C4H6N2.4ClH.Ti/c1-6-3-2-5-4-6;;;;;/h2-4H,1H3;4*1H;/q;;;;;+4/p-4
InChIKeyHXAOIZZQFMQATH-UHFFFAOYSA-J
MW271.79 g/mol
LogP3.18
Rot. Bonds

About 1-methylimidazole;tetrachlorotitanium

1-methylimidazole;tetrachlorotitanium (PubChem CID 174841078) has the molecular formula C4H6Cl4N2Ti and a molecular weight of 271.79 g/mol. Its IUPAC name is 1-methylimidazole;tetrachlorotitanium.

Molecular Properties

Compound Name1-methylimidazole;tetrachlorotitanium
PubChem CID174841078
Molecular FormulaC4H6Cl4N2Ti
Molecular Weight271.79 g/mol
Exact Mass269.88
IUPAC Name1-methylimidazole;tetrachlorotitanium
SMILESCl[Ti](Cl)(Cl)Cl.Cn1ccnc1
InChIInChI=1S/C4H6N2.4ClH.Ti/c1-6-3-2-5-4-6;;;;;/h2-4H,1H3;4*1H;/q;;;;;+4/p-4
InChIKeyHXAOIZZQFMQATH-UHFFFAOYSA-J
XLogP3.18
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500271.79
LogP ≤ 53.18
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-methylimidazole;tetrachlorotitanium?
The IUPAC name of 1-methylimidazole;tetrachlorotitanium (CID 174841078) is 1-methylimidazole;tetrachlorotitanium.
What is the SMILES notation for 1-methylimidazole;tetrachlorotitanium?
The canonical SMILES for 1-methylimidazole;tetrachlorotitanium is Cl[Ti](Cl)(Cl)Cl.Cn1ccnc1.
What is the InChIKey of 1-methylimidazole;tetrachlorotitanium?
The InChIKey is HXAOIZZQFMQATH-UHFFFAOYSA-J. The full InChI is InChI=1S/C4H6N2.4ClH.Ti/c1-6-3-2-5-4-6;;;;;/h2-4H,1H3;4*1H;/q;;;;;+4/p-4.
What are the key properties of 1-methylimidazole;tetrachlorotitanium?
1-methylimidazole;tetrachlorotitanium has a molecular weight of 271.79 g/mol, XLogP of 3.18, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methylimidazole;tetrachlorotitanium is sourced from PubChem (CID 174841078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).