5-[4-(2-imidazol-1-ylethoxy)naphthalen-1-yl]-1H-pyridin-2-one

C20H17N3O2 — CID 176506863

IUPAC5-[4-(2-imidazol-1-ylethoxy)naphthalen-1-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(OCCn3ccnc3)c3ccccc23)c[nH]1
InChIInChI=1S/C20H17N3O2/c24-20-8-5-15(13-22-20)16-6-7-19(18-4-2-1-3-17(16)18)25-12-11-23-10-9-21-14-23/h1-10,13-14H,11-12H2,(H,22,24)
InChIKeyBTRDSAGYMIJTTP-UHFFFAOYSA-N
MW331.38 g/mol
LogP3.47
Rot. Bonds5

About 5-[4-(2-imidazol-1-ylethoxy)naphthalen-1-yl]-1H-pyridin-2-one

5-[4-(2-imidazol-1-ylethoxy)naphthalen-1-yl]-1H-pyridin-2-one (PubChem CID 176506863) has the molecular formula C20H17N3O2 and a molecular weight of 331.38 g/mol. Its IUPAC name is 5-[4-(2-imidazol-1-ylethoxy)naphthalen-1-yl]-1H-pyridin-2-one.

Molecular Properties

Compound Name5-[4-(2-imidazol-1-ylethoxy)naphthalen-1-yl]-1H-pyridin-2-one
PubChem CID176506863
Molecular FormulaC20H17N3O2
Molecular Weight331.38 g/mol
Exact Mass331.13
IUPAC Name5-[4-(2-imidazol-1-ylethoxy)naphthalen-1-yl]-1H-pyridin-2-one
SMILESO=c1ccc(-c2ccc(OCCn3ccnc3)c3ccccc23)c[nH]1
InChIInChI=1S/C20H17N3O2/c24-20-8-5-15(13-22-20)16-6-7-19(18-4-2-1-3-17(16)18)25-12-11-23-10-9-21-14-23/h1-10,13-14H,11-12H2,(H,22,24)
InChIKeyBTRDSAGYMIJTTP-UHFFFAOYSA-N
XLogP3.47
TPSA59.91 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500331.38
LogP ≤ 53.47
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[4-(2-imidazol-1-ylethoxy)naphthalen-1-yl]-1H-pyridin-2-one?
The IUPAC name of 5-[4-(2-imidazol-1-ylethoxy)naphthalen-1-yl]-1H-pyridin-2-one (CID 176506863) is 5-[4-(2-imidazol-1-ylethoxy)naphthalen-1-yl]-1H-pyridin-2-one.
What is the SMILES notation for 5-[4-(2-imidazol-1-ylethoxy)naphthalen-1-yl]-1H-pyridin-2-one?
The canonical SMILES for 5-[4-(2-imidazol-1-ylethoxy)naphthalen-1-yl]-1H-pyridin-2-one is O=c1ccc(-c2ccc(OCCn3ccnc3)c3ccccc23)c[nH]1.
What is the InChIKey of 5-[4-(2-imidazol-1-ylethoxy)naphthalen-1-yl]-1H-pyridin-2-one?
The InChIKey is BTRDSAGYMIJTTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3O2/c24-20-8-5-15(13-22-20)16-6-7-19(18-4-2-1-3-17(16)18)25-12-11-23-10-9-21-14-23/h1-10,13-14H,11-12H2,(H,22,24).
What are the key properties of 5-[4-(2-imidazol-1-ylethoxy)naphthalen-1-yl]-1H-pyridin-2-one?
5-[4-(2-imidazol-1-ylethoxy)naphthalen-1-yl]-1H-pyridin-2-one has a molecular weight of 331.38 g/mol, XLogP of 3.47, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(2-imidazol-1-ylethoxy)naphthalen-1-yl]-1H-pyridin-2-one is sourced from PubChem (CID 176506863), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).