aluminum;bis(1-methylimidazole);trichloride

C8H12AlCl3N4 — CID 22075407

IUPACaluminum;bis(1-methylimidazole);trichloride
SMILESCn1ccnc1.Cn1ccnc1.[Al+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/2C4H6N2.Al.3ClH/c2*1-6-3-2-5-4-6;;;;/h2*2-4H,1H3;;3*1H/q;;+3;;;/p-3
InChIKeyBBOJWHUMTIOYCO-UHFFFAOYSA-K
MW297.55 g/mol
LogP-8.53
Rot. Bonds

About aluminum;bis(1-methylimidazole);trichloride

aluminum;bis(1-methylimidazole);trichloride (PubChem CID 22075407) has the molecular formula C8H12AlCl3N4 and a molecular weight of 297.55 g/mol. Its IUPAC name is aluminum;bis(1-methylimidazole);trichloride.

Molecular Properties

Compound Namealuminum;bis(1-methylimidazole);trichloride
PubChem CID22075407
Molecular FormulaC8H12AlCl3N4
Molecular Weight297.55 g/mol
Exact Mass295.99
IUPAC Namealuminum;bis(1-methylimidazole);trichloride
SMILESCn1ccnc1.Cn1ccnc1.[Al+3].[Cl-].[Cl-].[Cl-]
InChIInChI=1S/2C4H6N2.Al.3ClH/c2*1-6-3-2-5-4-6;;;;/h2*2-4H,1H3;;3*1H/q;;+3;;;/p-3
InChIKeyBBOJWHUMTIOYCO-UHFFFAOYSA-K
XLogP-8.53
TPSA35.64 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.55
LogP ≤ 5-8.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

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azane;1-methylimidazole;platinum(2+);dichloride
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dichloromercury;bis(1-methylimidazole)
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hydron;1-methylimidazole;tetrafluoroborate
CID 122361255
chloroethane;1-methylimidazole
CID 67152789
tetrakis(1-methylimidazole);platinum(2+);diperchlorate
CID 139054952
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CID 67999343

Frequently Asked Questions

What is the IUPAC name of aluminum;bis(1-methylimidazole);trichloride?
The IUPAC name of aluminum;bis(1-methylimidazole);trichloride (CID 22075407) is aluminum;bis(1-methylimidazole);trichloride.
What is the SMILES notation for aluminum;bis(1-methylimidazole);trichloride?
The canonical SMILES for aluminum;bis(1-methylimidazole);trichloride is Cn1ccnc1.Cn1ccnc1.[Al+3].[Cl-].[Cl-].[Cl-].
What is the InChIKey of aluminum;bis(1-methylimidazole);trichloride?
The InChIKey is BBOJWHUMTIOYCO-UHFFFAOYSA-K. The full InChI is InChI=1S/2C4H6N2.Al.3ClH/c2*1-6-3-2-5-4-6;;;;/h2*2-4H,1H3;;3*1H/q;;+3;;;/p-3.
What are the key properties of aluminum;bis(1-methylimidazole);trichloride?
aluminum;bis(1-methylimidazole);trichloride has a molecular weight of 297.55 g/mol, XLogP of -8.53, 0 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for aluminum;bis(1-methylimidazole);trichloride is sourced from PubChem (CID 22075407), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).