2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone;hydrochloride

C16H15ClN2O2 — CID 3058921

IUPAC2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone;hydrochloride
SMILESCOc1ccc2cc(C(=O)Cn3ccnc3)ccc2c1.Cl
InChIInChI=1S/C16H14N2O2.ClH/c1-20-15-5-4-12-8-14(3-2-13(12)9-15)16(19)10-18-7-6-17-11-18;/h2-9,11H,10H2,1H3;1H
InChIKeyLJGXTQZQCWTOFZ-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.35
Rot. Bonds4

About 2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone;hydrochloride

2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone;hydrochloride (PubChem CID 3058921) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone;hydrochloride
PubChem CID3058921
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone;hydrochloride
SMILESCOc1ccc2cc(C(=O)Cn3ccnc3)ccc2c1.Cl
InChIInChI=1S/C16H14N2O2.ClH/c1-20-15-5-4-12-8-14(3-2-13(12)9-15)16(19)10-18-7-6-17-11-18;/h2-9,11H,10H2,1H3;1H
InChIKeyLJGXTQZQCWTOFZ-UHFFFAOYSA-N
XLogP3.35
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.76
LogP ≤ 53.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Analyze 2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone;hydrochloride with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone;hydrochloride?
The IUPAC name of 2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone;hydrochloride (CID 3058921) is 2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone;hydrochloride?
The canonical SMILES for 2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone;hydrochloride is COc1ccc2cc(C(=O)Cn3ccnc3)ccc2c1.Cl.
What is the InChIKey of 2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone;hydrochloride?
The InChIKey is LJGXTQZQCWTOFZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2.ClH/c1-20-15-5-4-12-8-14(3-2-13(12)9-15)16(19)10-18-7-6-17-11-18;/h2-9,11H,10H2,1H3;1H.
What are the key properties of 2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone;hydrochloride?
2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone;hydrochloride has a molecular weight of 302.76 g/mol, XLogP of 3.35, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 3058921), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).