4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine

C11H13N3 — CID 115648480

IUPAC4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine
SMILESCc1ncn(Cc2ccncc2)c1C
InChIInChI=1S/C11H13N3/c1-9-10(2)14(8-13-9)7-11-3-5-12-6-4-11/h3-6,8H,7H2,1-2H3
InChIKeyVLCWPMYIBDXVLS-UHFFFAOYSA-N
MW187.25 g/mol
LogP1.94
Rot. Bonds2

About 4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine

4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine (PubChem CID 115648480) has the molecular formula C11H13N3 and a molecular weight of 187.25 g/mol. Its IUPAC name is 4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine.

Molecular Properties

Compound Name4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine
PubChem CID115648480
Molecular FormulaC11H13N3
Molecular Weight187.25 g/mol
Exact Mass187.11
IUPAC Name4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine
SMILESCc1ncn(Cc2ccncc2)c1C
InChIInChI=1S/C11H13N3/c1-9-10(2)14(8-13-9)7-11-3-5-12-6-4-11/h3-6,8H,7H2,1-2H3
InChIKeyVLCWPMYIBDXVLS-UHFFFAOYSA-N
XLogP1.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.25
LogP ≤ 51.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine?
The IUPAC name of 4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine (CID 115648480) is 4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine.
What is the SMILES notation for 4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine?
The canonical SMILES for 4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine is Cc1ncn(Cc2ccncc2)c1C.
What is the InChIKey of 4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine?
The InChIKey is VLCWPMYIBDXVLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3/c1-9-10(2)14(8-13-9)7-11-3-5-12-6-4-11/h3-6,8H,7H2,1-2H3.
What are the key properties of 4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine?
4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine has a molecular weight of 187.25 g/mol, XLogP of 1.94, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4,5-dimethylimidazol-1-yl)methyl]pyridine is sourced from PubChem (CID 115648480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).