titanium;2,4,5-tritert-butyl-1H-imidazole;trichloride

C15H28Cl3N2Ti-3 — CID 173108119

IUPACtitanium;2,4,5-tritert-butyl-1H-imidazole;trichloride
SMILESCC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)[nH]1.[Cl-].[Cl-].[Cl-].[Ti]
InChIInChI=1S/C15H28N2.3ClH.Ti/c1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9;;;;/h1-9H3,(H,16,17);3*1H;/p-3
InChIKeyBAJPIMYGBGRLSB-UHFFFAOYSA-K
MW390.63 g/mol
LogP-4.69
Rot. Bonds

About titanium;2,4,5-tritert-butyl-1H-imidazole;trichloride

titanium;2,4,5-tritert-butyl-1H-imidazole;trichloride (PubChem CID 173108119) has the molecular formula C15H28Cl3N2Ti-3 and a molecular weight of 390.63 g/mol. Its IUPAC name is titanium;2,4,5-tritert-butyl-1H-imidazole;trichloride.

Molecular Properties

Compound Nametitanium;2,4,5-tritert-butyl-1H-imidazole;trichloride
PubChem CID173108119
Molecular FormulaC15H28Cl3N2Ti-3
Molecular Weight390.63 g/mol
Exact Mass389.08
IUPAC Nametitanium;2,4,5-tritert-butyl-1H-imidazole;trichloride
SMILESCC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)[nH]1.[Cl-].[Cl-].[Cl-].[Ti]
InChIInChI=1S/C15H28N2.3ClH.Ti/c1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9;;;;/h1-9H3,(H,16,17);3*1H;/p-3
InChIKeyBAJPIMYGBGRLSB-UHFFFAOYSA-K
XLogP-4.69
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.63
LogP ≤ 5-4.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Related Compounds

5-Ethyl-2,4-dimethyl-1H-imidazole
CID 15724086
2,5-dimethyl-4-propan-2-yl-1H-imidazole
CID 15724089
2,4,5-Triethylimidazole
CID 19377935
2-(2-ethyl-5-methyl-1H-imidazol-4-yl)propanenitrile
CID 20447489
4-ethyl-2-methyl-5-propyl-1H-imidazole
CID 67591389
4,5-ditert-butyl-1H-imidazol-2-amine
CID 139230318
4,5-di(propan-2-yl)-2-(trifluoromethyl)-1H-imidazole
CID 57973791
2-ethyl-4-(1-fluoroethyl)-5-methyl-1H-imidazole
CID 141429576
4-tert-butyl-2-fluoro-5-methyl-1H-imidazole
CID 146376890
4-tert-butyl-2-methyl-5-(trifluoromethyl)-1H-imidazole
CID 153470601
4-(1,1-difluoroethyl)-5-ethyl-2-hexan-2-yl-1H-imidazole
CID 169620528
4-tert-butyl-5-methyl-2-(trifluoromethyl)-1H-imidazole
CID 176860202

Frequently Asked Questions

What is the IUPAC name of titanium;2,4,5-tritert-butyl-1H-imidazole;trichloride?
The IUPAC name of titanium;2,4,5-tritert-butyl-1H-imidazole;trichloride (CID 173108119) is titanium;2,4,5-tritert-butyl-1H-imidazole;trichloride.
What is the SMILES notation for titanium;2,4,5-tritert-butyl-1H-imidazole;trichloride?
The canonical SMILES for titanium;2,4,5-tritert-butyl-1H-imidazole;trichloride is CC(C)(C)c1nc(C(C)(C)C)c(C(C)(C)C)[nH]1.[Cl-].[Cl-].[Cl-].[Ti].
What is the InChIKey of titanium;2,4,5-tritert-butyl-1H-imidazole;trichloride?
The InChIKey is BAJPIMYGBGRLSB-UHFFFAOYSA-K. The full InChI is InChI=1S/C15H28N2.3ClH.Ti/c1-13(2,3)10-11(14(4,5)6)17-12(16-10)15(7,8)9;;;;/h1-9H3,(H,16,17);3*1H;/p-3.
What are the key properties of titanium;2,4,5-tritert-butyl-1H-imidazole;trichloride?
titanium;2,4,5-tritert-butyl-1H-imidazole;trichloride has a molecular weight of 390.63 g/mol, XLogP of -4.69, 0 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for titanium;2,4,5-tritert-butyl-1H-imidazole;trichloride is sourced from PubChem (CID 173108119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).