2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride

C10H13ClN2 — CID 6048

IUPAC2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.c1ccc(CC2=NCCN2)cc1
InChIInChI=1S/C10H12N2.ClH/c1-2-4-9(5-3-1)8-10-11-6-7-12-10;/h1-5H,6-8H2,(H,11,12);1H
InChIKeyRHTNTTODYGNRSP-UHFFFAOYSA-N
MW196.68 g/mol
LogP1.65
Rot. Bonds2

About 2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride

2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 6048) has the molecular formula C10H13ClN2 and a molecular weight of 196.68 g/mol. Its IUPAC name is 2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID6048
Molecular FormulaC10H13ClN2
Molecular Weight196.68 g/mol
Exact Mass196.08
IUPAC Name2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.c1ccc(CC2=NCCN2)cc1
InChIInChI=1S/C10H12N2.ClH/c1-2-4-9(5-3-1)8-10-11-6-7-12-10;/h1-5H,6-8H2,(H,11,12);1H
InChIKeyRHTNTTODYGNRSP-UHFFFAOYSA-N
XLogP1.65
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.68
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride (CID 6048) is 2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride is Cl.c1ccc(CC2=NCCN2)cc1.
What is the InChIKey of 2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is RHTNTTODYGNRSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H12N2.ClH/c1-2-4-9(5-3-1)8-10-11-6-7-12-10;/h1-5H,6-8H2,(H,11,12);1H.
What are the key properties of 2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride?
2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 196.68 g/mol, XLogP of 1.65, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-benzyl-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 6048), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).