bis(2-propan-2-yl-1H-imidazol-1-ium) dichloride

C12H22Cl2N4 — CID 70418563

IUPACbis(2-propan-2-yl-1H-imidazol-1-ium) dichloride
SMILESCC(C)C1=NC=C[NH2+]1.CC(C)C1=NC=C[NH2+]1.[Cl-].[Cl-]
InChIInChI=1S/2C6H10N2.2ClH/c2*1-5(2)6-7-3-4-8-6;;/h2*3-5H,1-2H3,(H,7,8);2*1H
InChIKeyDPWLDAOOQULVLM-UHFFFAOYSA-N
MW293.24 g/mol
LogP-5.81
Rot. Bonds2

About bis(2-propan-2-yl-1H-imidazol-1-ium) dichloride

bis(2-propan-2-yl-1H-imidazol-1-ium) dichloride (PubChem CID 70418563) has the molecular formula C12H22Cl2N4 and a molecular weight of 293.24 g/mol. Its IUPAC name is bis(2-propan-2-yl-1H-imidazol-1-ium) dichloride.

Molecular Properties

Compound Namebis(2-propan-2-yl-1H-imidazol-1-ium) dichloride
PubChem CID70418563
Molecular FormulaC12H22Cl2N4
Molecular Weight293.24 g/mol
Exact Mass292.12
IUPAC Namebis(2-propan-2-yl-1H-imidazol-1-ium) dichloride
SMILESCC(C)C1=NC=C[NH2+]1.CC(C)C1=NC=C[NH2+]1.[Cl-].[Cl-]
InChIInChI=1S/2C6H10N2.2ClH/c2*1-5(2)6-7-3-4-8-6;;/h2*3-5H,1-2H3,(H,7,8);2*1H
InChIKeyDPWLDAOOQULVLM-UHFFFAOYSA-N
XLogP-5.81
TPSA57.94 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.24
LogP ≤ 5-5.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

2-propan-2-yl-1H-imidazol-1-ium
CID 20276869
3-methyl-2-[(3-methyl-1H-imidazole-1,3-diium-2-yl)methyl]-1H-imidazole-1,3-diium
CID 20776929
1-methanidyl-2-propan-2-yl-1H-imidazol-1-ium
CID 59401491
N-ethenyl-N',2-dimethylpropanimidamide
CID 89040593
1-methyl-2-(2-methylpropyl)-1H-imidazol-1-ium chloride
CID 117929581
ethane;N-ethenyl-N',2-dimethylpropanimidamide
CID 142915747
ethane;N-ethenyl-N'-methylpropanimidamide
CID 144372151
N-ethenyl-N',3-dimethylbutanimidamide
CID 146488114
N,N'-bis(ethenyl)-2-methylpropanimidamide
CID 146604287
1-methyl-2-[(1-methyl-1H-imidazol-1-ium-2-yl)methyl]-1H-imidazol-1-ium
CID 148919359
N-ethenyl-N'-ethyl-2-methylpropanimidamide
CID 166684444
N-ethenyl-2-methyl-N'-propan-2-ylpropanimidamide
CID 170284415

Frequently Asked Questions

What is the IUPAC name of bis(2-propan-2-yl-1H-imidazol-1-ium) dichloride?
The IUPAC name of bis(2-propan-2-yl-1H-imidazol-1-ium) dichloride (CID 70418563) is bis(2-propan-2-yl-1H-imidazol-1-ium) dichloride.
What is the SMILES notation for bis(2-propan-2-yl-1H-imidazol-1-ium) dichloride?
The canonical SMILES for bis(2-propan-2-yl-1H-imidazol-1-ium) dichloride is CC(C)C1=NC=C[NH2+]1.CC(C)C1=NC=C[NH2+]1.[Cl-].[Cl-].
What is the InChIKey of bis(2-propan-2-yl-1H-imidazol-1-ium) dichloride?
The InChIKey is DPWLDAOOQULVLM-UHFFFAOYSA-N. The full InChI is InChI=1S/2C6H10N2.2ClH/c2*1-5(2)6-7-3-4-8-6;;/h2*3-5H,1-2H3,(H,7,8);2*1H.
What are the key properties of bis(2-propan-2-yl-1H-imidazol-1-ium) dichloride?
bis(2-propan-2-yl-1H-imidazol-1-ium) dichloride has a molecular weight of 293.24 g/mol, XLogP of -5.81, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for bis(2-propan-2-yl-1H-imidazol-1-ium) dichloride is sourced from PubChem (CID 70418563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).