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

C16H14N2O2 — CID 12698927

IUPAC2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone
SMILESCOc1c(C(=O)Cn2ccnc2)ccc2ccccc12
InChIInChI=1S/C16H14N2O2/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
InChIKeyOGKSHGUAJTXKQU-UHFFFAOYSA-N
MW266.30 g/mol
LogP2.93
Rot. Bonds4

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

2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone (PubChem CID 12698927) has the molecular formula C16H14N2O2 and a molecular weight of 266.30 g/mol. Its IUPAC name is 2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone.

Molecular Properties

Compound Name2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone
PubChem CID12698927
Molecular FormulaC16H14N2O2
Molecular Weight266.30 g/mol
Exact Mass266.11
IUPAC Name2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone
SMILESCOc1c(C(=O)Cn2ccnc2)ccc2ccccc12
InChIInChI=1S/C16H14N2O2/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
InChIKeyOGKSHGUAJTXKQU-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-(1-methoxynaphthalen-2-yl)ethanone?
The IUPAC name of 2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone (CID 12698927) is 2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone.
What is the SMILES notation for 2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone?
The canonical SMILES for 2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone is COc1c(C(=O)Cn2ccnc2)ccc2ccccc12.
What is the InChIKey of 2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone?
The InChIKey is OGKSHGUAJTXKQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H14N2O2/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.
What are the key properties of 2-imidazol-1-yl-1-(1-methoxynaphthalen-2-yl)ethanone?
2-imidazol-1-yl-1-(1-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-(1-methoxynaphthalen-2-yl)ethanone is sourced from PubChem (CID 12698927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).