4-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine

C15H13N3 — CID 24825513

IUPAC4-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine
SMILESc1cc(Cc2cnc[nH]2)cc(-c2ccncc2)c1
InChIInChI=1S/C15H13N3/c1-2-12(9-15-10-17-11-18-15)8-14(3-1)13-4-6-16-7-5-13/h1-8,10-11H,9H2,(H,17,18)
InChIKeyIIPGNQAIZQFUPT-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.06
Rot. Bonds3

About 4-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine

4-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine (PubChem CID 24825513) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine.

Molecular Properties

Compound Name4-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine
PubChem CID24825513
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name4-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine
SMILESc1cc(Cc2cnc[nH]2)cc(-c2ccncc2)c1
InChIInChI=1S/C15H13N3/c1-2-12(9-15-10-17-11-18-15)8-14(3-1)13-4-6-16-7-5-13/h1-8,10-11H,9H2,(H,17,18)
InChIKeyIIPGNQAIZQFUPT-UHFFFAOYSA-N
XLogP3.06
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 53.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine?
The IUPAC name of 4-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine (CID 24825513) is 4-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine.
What is the SMILES notation for 4-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine?
The canonical SMILES for 4-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine is c1cc(Cc2cnc[nH]2)cc(-c2ccncc2)c1.
What is the InChIKey of 4-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine?
The InChIKey is IIPGNQAIZQFUPT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-2-12(9-15-10-17-11-18-15)8-14(3-1)13-4-6-16-7-5-13/h1-8,10-11H,9H2,(H,17,18).
What are the key properties of 4-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine?
4-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine has a molecular weight of 235.29 g/mol, XLogP of 3.06, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine is sourced from PubChem (CID 24825513), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).