1,2-di(propan-2-yl)-1H-imidazol-1-ium;hydrochloride

C9H18ClN2+ — CID 86652314

IUPAC1,2-di(propan-2-yl)-1H-imidazol-1-ium;hydrochloride
SMILESCC(C)C1=NC=C[NH+]1C(C)C.Cl
InChIInChI=1S/C9H16N2.ClH/c1-7(2)9-10-5-6-11(9)8(3)4;/h5-8H,1-4H3;1H/p+1
InChIKeyAHHODRHBCAVUBC-UHFFFAOYSA-O
MW189.71 g/mol
LogP1.24
Rot. Bonds2

About 1,2-di(propan-2-yl)-1H-imidazol-1-ium;hydrochloride

1,2-di(propan-2-yl)-1H-imidazol-1-ium;hydrochloride (PubChem CID 86652314) has the molecular formula C9H18ClN2+ and a molecular weight of 189.71 g/mol. Its IUPAC name is 1,2-di(propan-2-yl)-1H-imidazol-1-ium;hydrochloride.

Molecular Properties

Compound Name1,2-di(propan-2-yl)-1H-imidazol-1-ium;hydrochloride
PubChem CID86652314
Molecular FormulaC9H18ClN2+
Molecular Weight189.71 g/mol
Exact Mass189.12
IUPAC Name1,2-di(propan-2-yl)-1H-imidazol-1-ium;hydrochloride
SMILESCC(C)C1=NC=C[NH+]1C(C)C.Cl
InChIInChI=1S/C9H16N2.ClH/c1-7(2)9-10-5-6-11(9)8(3)4;/h5-8H,1-4H3;1H/p+1
InChIKeyAHHODRHBCAVUBC-UHFFFAOYSA-O
XLogP1.24
TPSA16.80 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.71
LogP ≤ 51.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 1,2-di(propan-2-yl)-1H-imidazol-1-ium;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-methanidyl-2-propan-2-yl-1H-imidazol-1-ium
CID 59401491
1-butyl-2-methyl-1H-imidazol-1-ium chloride
CID 66619869
1,2-di(propan-2-yl)-1H-imidazol-1-ium chloride
CID 68424231
2-butyl-1-ethyl-1H-imidazol-1-ium chloride
CID 68448346
[2-Methyl-1-(propan-2-ylamino)propylidene]-di(propan-2-yl)azanium chloride
CID 87521444
1-methyl-2-(2-methylpropyl)-1H-imidazol-1-ium chloride
CID 117929581
N-ethenyl-N'-propan-2-ylpropanimidamide
CID 123604400
N,N'-bis(ethenyl)-2-methyl-N-propan-2-ylpropanimidamide
CID 134510983
ethane;N-ethenyl-N',2-dimethylpropanimidamide
CID 142915747
2-methyl-1-(2-methylpropyl)-1H-imidazol-1-ium chloride
CID 143199822
1-butyl-2-methyl-1H-imidazol-1-ium;chloride;hydrochloride
CID 144487384
1,2-diethyl-1H-imidazol-1-ium
CID 148246804

Frequently Asked Questions

What is the IUPAC name of 1,2-di(propan-2-yl)-1H-imidazol-1-ium;hydrochloride?
The IUPAC name of 1,2-di(propan-2-yl)-1H-imidazol-1-ium;hydrochloride (CID 86652314) is 1,2-di(propan-2-yl)-1H-imidazol-1-ium;hydrochloride.
What is the SMILES notation for 1,2-di(propan-2-yl)-1H-imidazol-1-ium;hydrochloride?
The canonical SMILES for 1,2-di(propan-2-yl)-1H-imidazol-1-ium;hydrochloride is CC(C)C1=NC=C[NH+]1C(C)C.Cl.
What is the InChIKey of 1,2-di(propan-2-yl)-1H-imidazol-1-ium;hydrochloride?
The InChIKey is AHHODRHBCAVUBC-UHFFFAOYSA-O. The full InChI is InChI=1S/C9H16N2.ClH/c1-7(2)9-10-5-6-11(9)8(3)4;/h5-8H,1-4H3;1H/p+1.
What are the key properties of 1,2-di(propan-2-yl)-1H-imidazol-1-ium;hydrochloride?
1,2-di(propan-2-yl)-1H-imidazol-1-ium;hydrochloride has a molecular weight of 189.71 g/mol, XLogP of 1.24, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1,2-di(propan-2-yl)-1H-imidazol-1-ium;hydrochloride is sourced from PubChem (CID 86652314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).