2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride

C15H17ClN2 — CID 3086490

IUPAC2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.c1ccc2c(CCC3=NCCN3)cccc2c1
InChIInChI=1S/C15H16N2.ClH/c1-2-7-14-12(4-1)5-3-6-13(14)8-9-15-16-10-11-17-15;/h1-7H,8-11H2,(H,16,17);1H
InChIKeyLCJARYWGUDQBBW-UHFFFAOYSA-N
MW260.77 g/mol
LogP3.20
Rot. Bonds3

About 2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride

2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride (PubChem CID 3086490) has the molecular formula C15H17ClN2 and a molecular weight of 260.77 g/mol. Its IUPAC name is 2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride
PubChem CID3086490
Molecular FormulaC15H17ClN2
Molecular Weight260.77 g/mol
Exact Mass260.11
IUPAC Name2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride
SMILESCl.c1ccc2c(CCC3=NCCN3)cccc2c1
InChIInChI=1S/C15H16N2.ClH/c1-2-7-14-12(4-1)5-3-6-13(14)8-9-15-16-10-11-17-15;/h1-7H,8-11H2,(H,16,17);1H
InChIKeyLCJARYWGUDQBBW-UHFFFAOYSA-N
XLogP3.20
TPSA24.39 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.77
LogP ≤ 53.20
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The IUPAC name of 2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride (CID 3086490) is 2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride is Cl.c1ccc2c(CCC3=NCCN3)cccc2c1.
What is the InChIKey of 2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
The InChIKey is LCJARYWGUDQBBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N2.ClH/c1-2-7-14-12(4-1)5-3-6-13(14)8-9-15-16-10-11-17-15;/h1-7H,8-11H2,(H,16,17);1H.
What are the key properties of 2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride?
2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride has a molecular weight of 260.77 g/mol, XLogP of 3.20, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-naphthalen-1-ylethyl)-4,5-dihydro-1H-imidazole;hydrochloride is sourced from PubChem (CID 3086490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).