1-(2-naphthalen-2-ylethyl)imidazole;hydrochloride

C15H15ClN2 — CID 3058925

IUPAC1-(2-naphthalen-2-ylethyl)imidazole;hydrochloride
SMILESCl.c1ccc2cc(CCn3ccnc3)ccc2c1
InChIInChI=1S/C15H14N2.ClH/c1-2-4-15-11-13(5-6-14(15)3-1)7-9-17-10-8-16-12-17;/h1-6,8,10-12H,7,9H2;1H
InChIKeyALKBMQLHKFGLOD-UHFFFAOYSA-N
MW258.75 g/mol
LogP3.70
Rot. Bonds3

About 1-(2-naphthalen-2-ylethyl)imidazole;hydrochloride

1-(2-naphthalen-2-ylethyl)imidazole;hydrochloride (PubChem CID 3058925) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 1-(2-naphthalen-2-ylethyl)imidazole;hydrochloride.

Molecular Properties

Compound Name1-(2-naphthalen-2-ylethyl)imidazole;hydrochloride
PubChem CID3058925
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name1-(2-naphthalen-2-ylethyl)imidazole;hydrochloride
SMILESCl.c1ccc2cc(CCn3ccnc3)ccc2c1
InChIInChI=1S/C15H14N2.ClH/c1-2-4-15-11-13(5-6-14(15)3-1)7-9-17-10-8-16-12-17;/h1-6,8,10-12H,7,9H2;1H
InChIKeyALKBMQLHKFGLOD-UHFFFAOYSA-N
XLogP3.70
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 53.70
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(2-naphthalen-2-ylethyl)imidazole;hydrochloride?
The IUPAC name of 1-(2-naphthalen-2-ylethyl)imidazole;hydrochloride (CID 3058925) is 1-(2-naphthalen-2-ylethyl)imidazole;hydrochloride.
What is the SMILES notation for 1-(2-naphthalen-2-ylethyl)imidazole;hydrochloride?
The canonical SMILES for 1-(2-naphthalen-2-ylethyl)imidazole;hydrochloride is Cl.c1ccc2cc(CCn3ccnc3)ccc2c1.
What is the InChIKey of 1-(2-naphthalen-2-ylethyl)imidazole;hydrochloride?
The InChIKey is ALKBMQLHKFGLOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2.ClH/c1-2-4-15-11-13(5-6-14(15)3-1)7-9-17-10-8-16-12-17;/h1-6,8,10-12H,7,9H2;1H.
What are the key properties of 1-(2-naphthalen-2-ylethyl)imidazole;hydrochloride?
1-(2-naphthalen-2-ylethyl)imidazole;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 3.70, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-naphthalen-2-ylethyl)imidazole;hydrochloride is sourced from PubChem (CID 3058925), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).