2-(azetidin-3-yl)-5-naphthalen-1-yl-1H-imidazole

C16H15N3 — CID 116877500

IUPAC2-(azetidin-3-yl)-5-naphthalen-1-yl-1H-imidazole
SMILESc1ccc2c(-c3cnc(C4CNC4)[nH]3)cccc2c1
InChIInChI=1S/C16H15N3/c1-2-6-13-11(4-1)5-3-7-14(13)15-10-18-16(19-15)12-8-17-9-12/h1-7,10,12,17H,8-9H2,(H,18,19)
InChIKeySUPFROUOGQUDFF-UHFFFAOYSA-N
MW249.32 g/mol
LogP2.92
Rot. Bonds2

About 2-(azetidin-3-yl)-5-naphthalen-1-yl-1H-imidazole

2-(azetidin-3-yl)-5-naphthalen-1-yl-1H-imidazole (PubChem CID 116877500) has the molecular formula C16H15N3 and a molecular weight of 249.32 g/mol. Its IUPAC name is 2-(azetidin-3-yl)-5-naphthalen-1-yl-1H-imidazole.

Molecular Properties

Compound Name2-(azetidin-3-yl)-5-naphthalen-1-yl-1H-imidazole
PubChem CID116877500
Molecular FormulaC16H15N3
Molecular Weight249.32 g/mol
Exact Mass249.13
IUPAC Name2-(azetidin-3-yl)-5-naphthalen-1-yl-1H-imidazole
SMILESc1ccc2c(-c3cnc(C4CNC4)[nH]3)cccc2c1
InChIInChI=1S/C16H15N3/c1-2-6-13-11(4-1)5-3-7-14(13)15-10-18-16(19-15)12-8-17-9-12/h1-7,10,12,17H,8-9H2,(H,18,19)
InChIKeySUPFROUOGQUDFF-UHFFFAOYSA-N
XLogP2.92
TPSA40.71 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.32
LogP ≤ 52.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-(azetidin-3-yl)-5-naphthalen-1-yl-1H-imidazole?
The IUPAC name of 2-(azetidin-3-yl)-5-naphthalen-1-yl-1H-imidazole (CID 116877500) is 2-(azetidin-3-yl)-5-naphthalen-1-yl-1H-imidazole.
What is the SMILES notation for 2-(azetidin-3-yl)-5-naphthalen-1-yl-1H-imidazole?
The canonical SMILES for 2-(azetidin-3-yl)-5-naphthalen-1-yl-1H-imidazole is c1ccc2c(-c3cnc(C4CNC4)[nH]3)cccc2c1.
What is the InChIKey of 2-(azetidin-3-yl)-5-naphthalen-1-yl-1H-imidazole?
The InChIKey is SUPFROUOGQUDFF-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H15N3/c1-2-6-13-11(4-1)5-3-7-14(13)15-10-18-16(19-15)12-8-17-9-12/h1-7,10,12,17H,8-9H2,(H,18,19).
What are the key properties of 2-(azetidin-3-yl)-5-naphthalen-1-yl-1H-imidazole?
2-(azetidin-3-yl)-5-naphthalen-1-yl-1H-imidazole has a molecular weight of 249.32 g/mol, XLogP of 2.92, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(azetidin-3-yl)-5-naphthalen-1-yl-1H-imidazole is sourced from PubChem (CID 116877500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).