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

C15H15ClN2 — CID 45265432

IUPAC2-(1-naphthalen-1-ylethyl)-1H-imidazole;hydrochloride
SMILESCC(c1ncc[nH]1)c1cccc2ccccc12.Cl
InChIInChI=1S/C15H14N2.ClH/c1-11(15-16-9-10-17-15)13-8-4-6-12-5-2-3-7-14(12)13;/h2-11H,1H3,(H,16,17);1H
InChIKeyDETBHIQDVYYXAN-UHFFFAOYSA-N
MW258.75 g/mol
LogP4.14
Rot. Bonds2

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

2-(1-naphthalen-1-ylethyl)-1H-imidazole;hydrochloride (PubChem CID 45265432) has the molecular formula C15H15ClN2 and a molecular weight of 258.75 g/mol. Its IUPAC name is 2-(1-naphthalen-1-ylethyl)-1H-imidazole;hydrochloride.

Molecular Properties

Compound Name2-(1-naphthalen-1-ylethyl)-1H-imidazole;hydrochloride
PubChem CID45265432
Molecular FormulaC15H15ClN2
Molecular Weight258.75 g/mol
Exact Mass258.09
IUPAC Name2-(1-naphthalen-1-ylethyl)-1H-imidazole;hydrochloride
SMILESCC(c1ncc[nH]1)c1cccc2ccccc12.Cl
InChIInChI=1S/C15H14N2.ClH/c1-11(15-16-9-10-17-15)13-8-4-6-12-5-2-3-7-14(12)13;/h2-11H,1H3,(H,16,17);1H
InChIKeyDETBHIQDVYYXAN-UHFFFAOYSA-N
XLogP4.14
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.75
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(1-naphthalen-1-ylethyl)-1H-imidazole;hydrochloride?
The IUPAC name of 2-(1-naphthalen-1-ylethyl)-1H-imidazole;hydrochloride (CID 45265432) is 2-(1-naphthalen-1-ylethyl)-1H-imidazole;hydrochloride.
What is the SMILES notation for 2-(1-naphthalen-1-ylethyl)-1H-imidazole;hydrochloride?
The canonical SMILES for 2-(1-naphthalen-1-ylethyl)-1H-imidazole;hydrochloride is CC(c1ncc[nH]1)c1cccc2ccccc12.Cl.
What is the InChIKey of 2-(1-naphthalen-1-ylethyl)-1H-imidazole;hydrochloride?
The InChIKey is DETBHIQDVYYXAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H14N2.ClH/c1-11(15-16-9-10-17-15)13-8-4-6-12-5-2-3-7-14(12)13;/h2-11H,1H3,(H,16,17);1H.
What are the key properties of 2-(1-naphthalen-1-ylethyl)-1H-imidazole;hydrochloride?
2-(1-naphthalen-1-ylethyl)-1H-imidazole;hydrochloride has a molecular weight of 258.75 g/mol, XLogP of 4.14, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-naphthalen-1-ylethyl)-1H-imidazole;hydrochloride is sourced from PubChem (CID 45265432), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).