2-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine

C15H13N3 — CID 24825512

IUPAC2-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine
SMILESc1ccc(-c2cccc(Cc3cnc[nH]3)c2)nc1
InChIInChI=1S/C15H13N3/c1-2-7-17-15(6-1)13-5-3-4-12(8-13)9-14-10-16-11-18-14/h1-8,10-11H,9H2,(H,16,18)
InChIKeyKNNVBHWBIFXMDF-UHFFFAOYSA-N
MW235.29 g/mol
LogP3.06
Rot. Bonds3

About 2-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine

2-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine (PubChem CID 24825512) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 2-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine.

Molecular Properties

Compound Name2-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine
PubChem CID24825512
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name2-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine
SMILESc1ccc(-c2cccc(Cc3cnc[nH]3)c2)nc1
InChIInChI=1S/C15H13N3/c1-2-7-17-15(6-1)13-5-3-4-12(8-13)9-14-10-16-11-18-14/h1-8,10-11H,9H2,(H,16,18)
InChIKeyKNNVBHWBIFXMDF-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 2-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine?
The IUPAC name of 2-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine (CID 24825512) is 2-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine.
What is the SMILES notation for 2-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine?
The canonical SMILES for 2-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine is c1ccc(-c2cccc(Cc3cnc[nH]3)c2)nc1.
What is the InChIKey of 2-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine?
The InChIKey is KNNVBHWBIFXMDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-2-7-17-15(6-1)13-5-3-4-12(8-13)9-14-10-16-11-18-14/h1-8,10-11H,9H2,(H,16,18).
What are the key properties of 2-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine?
2-[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 2-[3-(1H-imidazol-5-ylmethyl)phenyl]pyridine is sourced from PubChem (CID 24825512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).