4,5-dihydro-1H-imidazole;trimethylazanium;chloride

C6H16ClN3 — CID 19898331

IUPAC4,5-dihydro-1H-imidazole;trimethylazanium;chloride
SMILESC1=NCCN1.C[NH+](C)C.[Cl-]
InChIInChI=1S/C3H6N2.C3H9N.ClH/c1-2-5-3-4-1;1-4(2)3;/h3H,1-2H2,(H,4,5);1-3H3;1H
InChIKeyVUHBJUQEAMGNMI-UHFFFAOYSA-N
MW165.67 g/mol
LogP-4.62
Rot. Bonds

About 4,5-dihydro-1H-imidazole;trimethylazanium;chloride

4,5-dihydro-1H-imidazole;trimethylazanium;chloride (PubChem CID 19898331) has the molecular formula C6H16ClN3 and a molecular weight of 165.67 g/mol. Its IUPAC name is 4,5-dihydro-1H-imidazole;trimethylazanium;chloride.

Molecular Properties

Compound Name4,5-dihydro-1H-imidazole;trimethylazanium;chloride
PubChem CID19898331
Molecular FormulaC6H16ClN3
Molecular Weight165.67 g/mol
Exact Mass165.10
IUPAC Name4,5-dihydro-1H-imidazole;trimethylazanium;chloride
SMILESC1=NCCN1.C[NH+](C)C.[Cl-]
InChIInChI=1S/C3H6N2.C3H9N.ClH/c1-2-5-3-4-1;1-4(2)3;/h3H,1-2H2,(H,4,5);1-3H3;1H
InChIKeyVUHBJUQEAMGNMI-UHFFFAOYSA-N
XLogP-4.62
TPSA28.83 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500165.67
LogP ≤ 5-4.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Analyze 4,5-dihydro-1H-imidazole;trimethylazanium;chloride with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4,5-dihydro-1H-imidazole;trimethylazanium;chloride?
The IUPAC name of 4,5-dihydro-1H-imidazole;trimethylazanium;chloride (CID 19898331) is 4,5-dihydro-1H-imidazole;trimethylazanium;chloride.
What is the SMILES notation for 4,5-dihydro-1H-imidazole;trimethylazanium;chloride?
The canonical SMILES for 4,5-dihydro-1H-imidazole;trimethylazanium;chloride is C1=NCCN1.C[NH+](C)C.[Cl-].
What is the InChIKey of 4,5-dihydro-1H-imidazole;trimethylazanium;chloride?
The InChIKey is VUHBJUQEAMGNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C3H6N2.C3H9N.ClH/c1-2-5-3-4-1;1-4(2)3;/h3H,1-2H2,(H,4,5);1-3H3;1H.
What are the key properties of 4,5-dihydro-1H-imidazole;trimethylazanium;chloride?
4,5-dihydro-1H-imidazole;trimethylazanium;chloride has a molecular weight of 165.67 g/mol, XLogP of -4.62, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dihydro-1H-imidazole;trimethylazanium;chloride is sourced from PubChem (CID 19898331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).