1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium

C15H30Cl4N2Ti — CID 162018722

IUPAC1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium
SMILESCCCCCCCCCCCN1C=CN(C)C1.Cl[Ti](Cl)(Cl)Cl
InChIInChI=1S/C15H30N2.4ClH.Ti/c1-3-4-5-6-7-8-9-10-11-12-17-14-13-16(2)15-17;;;;;/h13-14H,3-12,15H2,1-2H3;4*1H;/q;;;;;+4/p-4
InChIKeyYULTYZWDINDNJD-UHFFFAOYSA-J
MW428.10 g/mol
LogP6.95
Rot. Bonds10

About 1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium

1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium (PubChem CID 162018722) has the molecular formula C15H30Cl4N2Ti and a molecular weight of 428.10 g/mol. Its IUPAC name is 1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium.

Molecular Properties

Compound Name1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium
PubChem CID162018722
Molecular FormulaC15H30Cl4N2Ti
Molecular Weight428.10 g/mol
Exact Mass426.06
IUPAC Name1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium
SMILESCCCCCCCCCCCN1C=CN(C)C1.Cl[Ti](Cl)(Cl)Cl
InChIInChI=1S/C15H30N2.4ClH.Ti/c1-3-4-5-6-7-8-9-10-11-12-17-14-13-16(2)15-17;;;;;/h13-14H,3-12,15H2,1-2H3;4*1H;/q;;;;;+4/p-4
InChIKeyYULTYZWDINDNJD-UHFFFAOYSA-J
XLogP6.95
TPSA6.48 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds10
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.10
LogP ≤ 56.95
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

1-hexyl-3-methyl-2H-imidazole
CID 18513318
1-methyl-3-nonadecyl-2H-imidazole
CID 69396698
1-methyl-3-octadecyl-2H-imidazole;hydrochloride
CID 173017387
1-methyl-3-tridecyl-2H-imidazole;hydrochloride
CID 175556841
1-decyl-3-methyl-2H-imidazole;hydrofluoride
CID 174870192
1-methyl-3-octyl-2H-imidazole;hydrate
CID 172807129
dichlorozinc;1-hexyl-3-methyl-2H-imidazole
CID 174760028
fluoromethane;1-hexyl-3-methyl-2H-imidazole
CID 174715359
1-hexadecyl-3-methyl-2H-imidazole tetrafluoroborate
CID 159038407
1-butyl-3-methyl-2H-imidazole
CID 10265934
1-hexyl-3-methyl-2H-imidazole acetate
CID 162278554
1-butyl-3-methyl-2H-imidazole;molybdenum
CID 174105929

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium?
The IUPAC name of 1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium (CID 162018722) is 1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium.
What is the SMILES notation for 1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium?
The canonical SMILES for 1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium is CCCCCCCCCCCN1C=CN(C)C1.Cl[Ti](Cl)(Cl)Cl.
What is the InChIKey of 1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium?
The InChIKey is YULTYZWDINDNJD-UHFFFAOYSA-J. The full InChI is InChI=1S/C15H30N2.4ClH.Ti/c1-3-4-5-6-7-8-9-10-11-12-17-14-13-16(2)15-17;;;;;/h13-14H,3-12,15H2,1-2H3;4*1H;/q;;;;;+4/p-4.
What are the key properties of 1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium?
1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium has a molecular weight of 428.10 g/mol, XLogP of 6.95, 10 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-undecyl-2H-imidazole;tetrachlorotitanium is sourced from PubChem (CID 162018722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).