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

C16H17ClN2O — CID 12698959

IUPAC1-(2-methoxy-2-naphthalen-2-ylethyl)imidazole;hydrochloride
SMILESCOC(Cn1ccnc1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C16H16N2O.ClH/c1-19-16(11-18-9-8-17-12-18)15-7-6-13-4-2-3-5-14(13)10-15;/h2-10,12,16H,11H2,1H3;1H
InChIKeySDSAIVWBYXQQFD-UHFFFAOYSA-N
MW288.78 g/mol
LogP3.85
Rot. Bonds4

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

1-(2-methoxy-2-naphthalen-2-ylethyl)imidazole;hydrochloride (PubChem CID 12698959) has the molecular formula C16H17ClN2O and a molecular weight of 288.78 g/mol. Its IUPAC name is 1-(2-methoxy-2-naphthalen-2-ylethyl)imidazole;hydrochloride.

Molecular Properties

Compound Name1-(2-methoxy-2-naphthalen-2-ylethyl)imidazole;hydrochloride
PubChem CID12698959
Molecular FormulaC16H17ClN2O
Molecular Weight288.78 g/mol
Exact Mass288.10
IUPAC Name1-(2-methoxy-2-naphthalen-2-ylethyl)imidazole;hydrochloride
SMILESCOC(Cn1ccnc1)c1ccc2ccccc2c1.Cl
InChIInChI=1S/C16H16N2O.ClH/c1-19-16(11-18-9-8-17-12-18)15-7-6-13-4-2-3-5-14(13)10-15;/h2-10,12,16H,11H2,1H3;1H
InChIKeySDSAIVWBYXQQFD-UHFFFAOYSA-N
XLogP3.85
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.78
LogP ≤ 53.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(2-methoxy-2-naphthalen-2-ylethyl)imidazole;hydrochloride?
The IUPAC name of 1-(2-methoxy-2-naphthalen-2-ylethyl)imidazole;hydrochloride (CID 12698959) is 1-(2-methoxy-2-naphthalen-2-ylethyl)imidazole;hydrochloride.
What is the SMILES notation for 1-(2-methoxy-2-naphthalen-2-ylethyl)imidazole;hydrochloride?
The canonical SMILES for 1-(2-methoxy-2-naphthalen-2-ylethyl)imidazole;hydrochloride is COC(Cn1ccnc1)c1ccc2ccccc2c1.Cl.
What is the InChIKey of 1-(2-methoxy-2-naphthalen-2-ylethyl)imidazole;hydrochloride?
The InChIKey is SDSAIVWBYXQQFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N2O.ClH/c1-19-16(11-18-9-8-17-12-18)15-7-6-13-4-2-3-5-14(13)10-15;/h2-10,12,16H,11H2,1H3;1H.
What are the key properties of 1-(2-methoxy-2-naphthalen-2-ylethyl)imidazole;hydrochloride?
1-(2-methoxy-2-naphthalen-2-ylethyl)imidazole;hydrochloride has a molecular weight of 288.78 g/mol, XLogP of 3.85, 4 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-methoxy-2-naphthalen-2-ylethyl)imidazole;hydrochloride is sourced from PubChem (CID 12698959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).