5-(1-imidazol-1-ylethyl)-2-naphthalen-1-ylpyridine

C20H17N3 — CID 57329944

IUPAC5-(1-imidazol-1-ylethyl)-2-naphthalen-1-ylpyridine
SMILESCC(c1ccc(-c2cccc3ccccc23)nc1)n1ccnc1
InChIInChI=1S/C20H17N3/c1-15(23-12-11-21-14-23)17-9-10-20(22-13-17)19-8-4-6-16-5-2-3-7-18(16)19/h2-15H,1H3
InChIKeyZSGQKBWJAXFBSD-UHFFFAOYSA-N
MW299.38 g/mol
LogP4.71
Rot. Bonds3

About 5-(1-imidazol-1-ylethyl)-2-naphthalen-1-ylpyridine

5-(1-imidazol-1-ylethyl)-2-naphthalen-1-ylpyridine (PubChem CID 57329944) has the molecular formula C20H17N3 and a molecular weight of 299.38 g/mol. Its IUPAC name is 5-(1-imidazol-1-ylethyl)-2-naphthalen-1-ylpyridine.

Molecular Properties

Compound Name5-(1-imidazol-1-ylethyl)-2-naphthalen-1-ylpyridine
PubChem CID57329944
Molecular FormulaC20H17N3
Molecular Weight299.38 g/mol
Exact Mass299.14
IUPAC Name5-(1-imidazol-1-ylethyl)-2-naphthalen-1-ylpyridine
SMILESCC(c1ccc(-c2cccc3ccccc23)nc1)n1ccnc1
InChIInChI=1S/C20H17N3/c1-15(23-12-11-21-14-23)17-9-10-20(22-13-17)19-8-4-6-16-5-2-3-7-18(16)19/h2-15H,1H3
InChIKeyZSGQKBWJAXFBSD-UHFFFAOYSA-N
XLogP4.71
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.38
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(1-imidazol-1-ylethyl)-2-naphthalen-1-ylpyridine?
The IUPAC name of 5-(1-imidazol-1-ylethyl)-2-naphthalen-1-ylpyridine (CID 57329944) is 5-(1-imidazol-1-ylethyl)-2-naphthalen-1-ylpyridine.
What is the SMILES notation for 5-(1-imidazol-1-ylethyl)-2-naphthalen-1-ylpyridine?
The canonical SMILES for 5-(1-imidazol-1-ylethyl)-2-naphthalen-1-ylpyridine is CC(c1ccc(-c2cccc3ccccc23)nc1)n1ccnc1.
What is the InChIKey of 5-(1-imidazol-1-ylethyl)-2-naphthalen-1-ylpyridine?
The InChIKey is ZSGQKBWJAXFBSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H17N3/c1-15(23-12-11-21-14-23)17-9-10-20(22-13-17)19-8-4-6-16-5-2-3-7-18(16)19/h2-15H,1H3.
What are the key properties of 5-(1-imidazol-1-ylethyl)-2-naphthalen-1-ylpyridine?
5-(1-imidazol-1-ylethyl)-2-naphthalen-1-ylpyridine has a molecular weight of 299.38 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(1-imidazol-1-ylethyl)-2-naphthalen-1-ylpyridine is sourced from PubChem (CID 57329944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).