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

C16H14N2O2 — CID 3058922

IUPAC2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone
SMILESCOc1ccc2cc(C(=O)Cn3ccnc3)ccc2c1
InChIInChI=1S/C16H14N2O2/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
InChIKeyQWXCKASENSPRLZ-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.93
Rot. Bonds4

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

2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone (PubChem CID 3058922) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone
PubChem CID3058922
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone
SMILESCOc1ccc2cc(C(=O)Cn3ccnc3)ccc2c1
InChIInChI=1S/C16H14N2O2/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
InChIKeyQWXCKASENSPRLZ-UHFFFAOYSA-N
XLogP2.93
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.30
LogP ≤ 52.93
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-(6-methoxynaphthalen-2-yl)ethanone?
The IUPAC name of 2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone (CID 3058922) is 2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone is COc1ccc2cc(C(=O)Cn3ccnc3)ccc2c1.
What is the InChIKey of 2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone?
The InChIKey is QWXCKASENSPRLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/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.
What are the key properties of 2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone?
2-imidazol-1-yl-1-(6-methoxynaphthalen-2-yl)ethanone has a molecular weight of 266.30 g/mol, XLogP of 2.93, 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 is sourced from PubChem (CID 3058922), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).