4-[(2-phenylimidazol-1-yl)methyl]pyridine

C15H13N3 — CID 67150298

IUPAC4-[(2-phenylimidazol-1-yl)methyl]pyridine
SMILESc1ccc(-c2nccn2Cc2ccncc2)cc1
InChIInChI=1S/C15H13N3/c1-2-4-14(5-3-1)15-17-10-11-18(15)12-13-6-8-16-9-7-13/h1-11H,12H2
InChIKeyDKQRTUWVSZYWMV-UHFFFAOYSA-N
MW235.29 g/mol
LogP2.99
Rot. Bonds3

About 4-[(2-phenylimidazol-1-yl)methyl]pyridine

4-[(2-phenylimidazol-1-yl)methyl]pyridine (PubChem CID 67150298) has the molecular formula C15H13N3 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[(2-phenylimidazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name4-[(2-phenylimidazol-1-yl)methyl]pyridine
PubChem CID67150298
Molecular FormulaC15H13N3
Molecular Weight235.29 g/mol
Exact Mass235.11
IUPAC Name4-[(2-phenylimidazol-1-yl)methyl]pyridine
SMILESc1ccc(-c2nccn2Cc2ccncc2)cc1
InChIInChI=1S/C15H13N3/c1-2-4-14(5-3-1)15-17-10-11-18(15)12-13-6-8-16-9-7-13/h1-11H,12H2
InChIKeyDKQRTUWVSZYWMV-UHFFFAOYSA-N
XLogP2.99
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 52.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-phenylimidazol-1-yl)methyl]pyridine?
The IUPAC name of 4-[(2-phenylimidazol-1-yl)methyl]pyridine (CID 67150298) is 4-[(2-phenylimidazol-1-yl)methyl]pyridine.
What is the SMILES notation for 4-[(2-phenylimidazol-1-yl)methyl]pyridine?
The canonical SMILES for 4-[(2-phenylimidazol-1-yl)methyl]pyridine is c1ccc(-c2nccn2Cc2ccncc2)cc1.
What is the InChIKey of 4-[(2-phenylimidazol-1-yl)methyl]pyridine?
The InChIKey is DKQRTUWVSZYWMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N3/c1-2-4-14(5-3-1)15-17-10-11-18(15)12-13-6-8-16-9-7-13/h1-11H,12H2.
What are the key properties of 4-[(2-phenylimidazol-1-yl)methyl]pyridine?
4-[(2-phenylimidazol-1-yl)methyl]pyridine has a molecular weight of 235.29 g/mol, XLogP of 2.99, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-phenylimidazol-1-yl)methyl]pyridine is sourced from PubChem (CID 67150298), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).