1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;dihydrochloride

C5H13Cl2N3 — CID 126806219

IUPAC1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;dihydrochloride
SMILESCC(N)C1=NCCN1.Cl.Cl
InChIInChI=1S/C5H11N3.2ClH/c1-4(6)5-7-2-3-8-5;;/h4H,2-3,6H2,1H3,(H,7,8);2*1H
InChIKeyYPHYVGCDUFSGRZ-UHFFFAOYSA-N
MW186.09 g/mol
LogP0.18
Rot. Bonds1

About 1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;dihydrochloride

1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;dihydrochloride (PubChem CID 126806219) has the molecular formula C5H13Cl2N3 and a molecular weight of 186.09 g/mol. Its IUPAC name is 1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;dihydrochloride.

Molecular Properties

Compound Name1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;dihydrochloride
PubChem CID126806219
Molecular FormulaC5H13Cl2N3
Molecular Weight186.09 g/mol
Exact Mass185.05
IUPAC Name1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;dihydrochloride
SMILESCC(N)C1=NCCN1.Cl.Cl
InChIInChI=1S/C5H11N3.2ClH/c1-4(6)5-7-2-3-8-5;;/h4H,2-3,6H2,1H3,(H,7,8);2*1H
InChIKeyYPHYVGCDUFSGRZ-UHFFFAOYSA-N
XLogP0.18
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500186.09
LogP ≤ 50.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Analyze 1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;dihydrochloride 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 1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;dihydrochloride?
The IUPAC name of 1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;dihydrochloride (CID 126806219) is 1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;dihydrochloride.
What is the SMILES notation for 1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;dihydrochloride?
The canonical SMILES for 1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;dihydrochloride is CC(N)C1=NCCN1.Cl.Cl.
What is the InChIKey of 1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;dihydrochloride?
The InChIKey is YPHYVGCDUFSGRZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H11N3.2ClH/c1-4(6)5-7-2-3-8-5;;/h4H,2-3,6H2,1H3,(H,7,8);2*1H.
What are the key properties of 1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;dihydrochloride?
1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;dihydrochloride has a molecular weight of 186.09 g/mol, XLogP of 0.18, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dihydro-1H-imidazol-2-yl)ethanamine;dihydrochloride is sourced from PubChem (CID 126806219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).