2-(2-methylpropyl)-1H-imidazole;dihydrochloride

C7H14Cl2N2 — CID 170357804

IUPAC2-(2-methylpropyl)-1H-imidazole;dihydrochloride
SMILESCC(C)Cc1ncc[nH]1.Cl.Cl
InChIInChI=1S/C7H12N2.2ClH/c1-6(2)5-7-8-3-4-9-7;;/h3-4,6H,5H2,1-2H3,(H,8,9);2*1H
InChIKeyWYZXBEYGGOCSAN-UHFFFAOYSA-N
MW197.11 g/mol
LogP2.45
Rot. Bonds2

About 2-(2-methylpropyl)-1H-imidazole;dihydrochloride

2-(2-methylpropyl)-1H-imidazole;dihydrochloride (PubChem CID 170357804) has the molecular formula C7H14Cl2N2 and a molecular weight of 197.11 g/mol. Its IUPAC name is 2-(2-methylpropyl)-1H-imidazole;dihydrochloride.

Molecular Properties

Compound Name2-(2-methylpropyl)-1H-imidazole;dihydrochloride
PubChem CID170357804
Molecular FormulaC7H14Cl2N2
Molecular Weight197.11 g/mol
Exact Mass196.05
IUPAC Name2-(2-methylpropyl)-1H-imidazole;dihydrochloride
SMILESCC(C)Cc1ncc[nH]1.Cl.Cl
InChIInChI=1S/C7H12N2.2ClH/c1-6(2)5-7-8-3-4-9-7;;/h3-4,6H,5H2,1-2H3,(H,8,9);2*1H
InChIKeyWYZXBEYGGOCSAN-UHFFFAOYSA-N
XLogP2.45
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500197.11
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Analyze 2-(2-methylpropyl)-1H-imidazole;dihydrochloride 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

2-(2-bromopropyl)-1H-imidazole
CID 61096377
2-(2-bromo-4-methylpentyl)-1H-imidazole
CID 61096577
N-ethyl-1-(1H-imidazol-2-yl)-3-methylbutan-2-amine
CID 43493340
N-(1H-imidazol-2-ylmethyl)-2-methylpropan-1-amine
CID 46784320
2-(1-bromoethoxymethyl)-1H-imidazole
CID 141093842
1-(1H-imidazol-2-yl)propan-2-ylcarbamic acid
CID 68743487
N,N-bis(1H-imidazol-2-ylmethyl)propan-2-amine
CID 59825984
2-(1H-imidazol-2-yl)-N-methyl-1-(2,3,4,5,6-pentafluorophenyl)ethanamine
CID 43607987
bis(2-ethyl-1H-imidazole);hydrate
CID 70001211
2-(fluoromethyl)-1H-imidazole;hydrochloride
CID 70625153
ethane;2-ethyl-1H-imidazole
CID 144736598
2-ethyl-1H-imidazole;dihydroiodide
CID 175121589

Frequently Asked Questions

What is the IUPAC name of 2-(2-methylpropyl)-1H-imidazole;dihydrochloride?
The IUPAC name of 2-(2-methylpropyl)-1H-imidazole;dihydrochloride (CID 170357804) is 2-(2-methylpropyl)-1H-imidazole;dihydrochloride.
What is the SMILES notation for 2-(2-methylpropyl)-1H-imidazole;dihydrochloride?
The canonical SMILES for 2-(2-methylpropyl)-1H-imidazole;dihydrochloride is CC(C)Cc1ncc[nH]1.Cl.Cl.
What is the InChIKey of 2-(2-methylpropyl)-1H-imidazole;dihydrochloride?
The InChIKey is WYZXBEYGGOCSAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N2.2ClH/c1-6(2)5-7-8-3-4-9-7;;/h3-4,6H,5H2,1-2H3,(H,8,9);2*1H.
What are the key properties of 2-(2-methylpropyl)-1H-imidazole;dihydrochloride?
2-(2-methylpropyl)-1H-imidazole;dihydrochloride has a molecular weight of 197.11 g/mol, XLogP of 2.45, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methylpropyl)-1H-imidazole;dihydrochloride is sourced from PubChem (CID 170357804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).