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

C19H15N3 — CID 53475401

IUPAC5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine
SMILESc1ccc2c(-c3ccc(Cn4ccnc4)cn3)cccc2c1
InChIInChI=1S/C19H15N3/c1-2-6-17-16(4-1)5-3-7-18(17)19-9-8-15(12-21-19)13-22-11-10-20-14-22/h1-12,14H,13H2
InChIKeyVPZKFGQLDBPGEV-UHFFFAOYSA-N
MW285.35 g/mol
LogP4.15
Rot. Bonds3

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

5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine (PubChem CID 53475401) has the molecular formula C19H15N3 and a molecular weight of 285.35 g/mol. Its IUPAC name is 5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine.

Molecular Properties

Compound Name5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine
PubChem CID53475401
Molecular FormulaC19H15N3
Molecular Weight285.35 g/mol
Exact Mass285.13
IUPAC Name5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine
SMILESc1ccc2c(-c3ccc(Cn4ccnc4)cn3)cccc2c1
InChIInChI=1S/C19H15N3/c1-2-6-17-16(4-1)5-3-7-18(17)19-9-8-15(12-21-19)13-22-11-10-20-14-22/h1-12,14H,13H2
InChIKeyVPZKFGQLDBPGEV-UHFFFAOYSA-N
XLogP4.15
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.35
LogP ≤ 54.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine?
The IUPAC name of 5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine (CID 53475401) is 5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine.
What is the SMILES notation for 5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine?
The canonical SMILES for 5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine is c1ccc2c(-c3ccc(Cn4ccnc4)cn3)cccc2c1.
What is the InChIKey of 5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine?
The InChIKey is VPZKFGQLDBPGEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15N3/c1-2-6-17-16(4-1)5-3-7-18(17)19-9-8-15(12-21-19)13-22-11-10-20-14-22/h1-12,14H,13H2.
What are the key properties of 5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine?
5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine has a molecular weight of 285.35 g/mol, XLogP of 4.15, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(imidazol-1-ylmethyl)-2-naphthalen-1-ylpyridine is sourced from PubChem (CID 53475401), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).