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

C16H15ClN2O2 — CID 12698928

IUPAC2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone;hydrochloride
SMILESCOc1c(C(=O)Cn2ccnc2)ccc2ccccc12.Cl
InChIInChI=1S/C16H14N2O2.ClH/c1-20-16-13-5-3-2-4-12(13)6-7-14(16)15(19)10-18-9-8-17-11-18;/h2-9,11H,10H2,1H3;1H
InChIKeySVBQHVQWZUWEGN-UHFFFAOYSA-N
MW302.76 g/mol
LogP3.35
Rot. Bonds4

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

2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone;hydrochloride (PubChem CID 12698928) has the molecular formula C16H15ClN2O2 and a molecular weight of 302.76 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone;hydrochloride.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone;hydrochloride
PubChem CID12698928
Molecular FormulaC16H15ClN2O2
Molecular Weight302.76 g/mol
Exact Mass302.08
IUPAC Name2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone;hydrochloride
SMILESCOc1c(C(=O)Cn2ccnc2)ccc2ccccc12.Cl
InChIInChI=1S/C16H14N2O2.ClH/c1-20-16-13-5-3-2-4-12(13)6-7-14(16)15(19)10-18-9-8-17-11-18;/h2-9,11H,10H2,1H3;1H
InChIKeySVBQHVQWZUWEGN-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

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Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone;hydrochloride?
The IUPAC name of 2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone;hydrochloride (CID 12698928) is 2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone;hydrochloride.
What is the SMILES notation for 2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone;hydrochloride?
The canonical SMILES for 2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone;hydrochloride is COc1c(C(=O)Cn2ccnc2)ccc2ccccc12.Cl.
What is the InChIKey of 2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone;hydrochloride?
The InChIKey is SVBQHVQWZUWEGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2.ClH/c1-20-16-13-5-3-2-4-12(13)6-7-14(16)15(19)10-18-9-8-17-11-18;/h2-9,11H,10H2,1H3;1H.
What are the key properties of 2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone;hydrochloride?
2-imidazol-1-yl-1-(1-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-(1-methoxynaphthalen-2-yl)ethanone;hydrochloride is sourced from PubChem (CID 12698928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).