2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride

C6H11ClN4 — CID 54602799

IUPAC2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESC1CNC(C2=NCCN2)=N1.Cl
InChIInChI=1S/C6H10N4.ClH/c1-2-8-5(7-1)6-9-3-4-10-6;/h1-4H2,(H,7,8)(H,9,10);1H
InChIKeyDCXCBOFJTKDUHH-UHFFFAOYSA-N
MW174.63 g/mol
LogP-0.59
Rot. Bonds1

About 2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride

2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 54602799) has the molecular formula C6H11ClN4 and a molecular weight of 174.63 g/mol. Its IUPAC name is 2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID54602799
Molecular FormulaC6H11ClN4
Molecular Weight174.63 g/mol
Exact Mass174.07
IUPAC Name2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESC1CNC(C2=NCCN2)=N1.Cl
InChIInChI=1S/C6H10N4.ClH/c1-2-8-5(7-1)6-9-3-4-10-6;/h1-4H2,(H,7,8)(H,9,10);1H
InChIKeyDCXCBOFJTKDUHH-UHFFFAOYSA-N
XLogP-0.59
TPSA48.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500174.63
LogP ≤ 5-0.59
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride (CID 54602799) is 2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride is C1CNC(C2=NCCN2)=N1.Cl.
What is the InChIKey of 2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is DCXCBOFJTKDUHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N4.ClH/c1-2-8-5(7-1)6-9-3-4-10-6;/h1-4H2,(H,7,8)(H,9,10);1H.
What are the key properties of 2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride?
2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 174.63 g/mol, XLogP of -0.59, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4,5-dihydro-1H-imidazol-2-yl)-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 54602799), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).