3-[2-(1-methylimidazol-2-yl)-3-propan-2-ylphenyl]pyridine

C18H19N3 — CID 143415543

IUPAC3-[2-(1-methylimidazol-2-yl)-3-propan-2-ylphenyl]pyridine
SMILESCC(C)c1cccc(-c2cccnc2)c1-c1nccn1C
InChIInChI=1S/C18H19N3/c1-13(2)15-7-4-8-16(14-6-5-9-19-12-14)17(15)18-20-10-11-21(18)3/h4-13H,1-3H3
InChIKeyVVEPYWWCJVTJGO-UHFFFAOYSA-N
MW277.37 g/mol
LogP4.27
Rot. Bonds3

About 3-[2-(1-methylimidazol-2-yl)-3-propan-2-ylphenyl]pyridine

3-[2-(1-methylimidazol-2-yl)-3-propan-2-ylphenyl]pyridine (PubChem CID 143415543) has the molecular formula C18H19N3 and a molecular weight of 277.37 g/mol. Its IUPAC name is 3-[2-(1-methylimidazol-2-yl)-3-propan-2-ylphenyl]pyridine.

Molecular Properties

Compound Name3-[2-(1-methylimidazol-2-yl)-3-propan-2-ylphenyl]pyridine
PubChem CID143415543
Molecular FormulaC18H19N3
Molecular Weight277.37 g/mol
Exact Mass277.16
IUPAC Name3-[2-(1-methylimidazol-2-yl)-3-propan-2-ylphenyl]pyridine
SMILESCC(C)c1cccc(-c2cccnc2)c1-c1nccn1C
InChIInChI=1S/C18H19N3/c1-13(2)15-7-4-8-16(14-6-5-9-19-12-14)17(15)18-20-10-11-21(18)3/h4-13H,1-3H3
InChIKeyVVEPYWWCJVTJGO-UHFFFAOYSA-N
XLogP4.27
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.37
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'dyes5A(27)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(1-methylimidazol-2-yl)-3-propan-2-ylphenyl]pyridine?
The IUPAC name of 3-[2-(1-methylimidazol-2-yl)-3-propan-2-ylphenyl]pyridine (CID 143415543) is 3-[2-(1-methylimidazol-2-yl)-3-propan-2-ylphenyl]pyridine.
What is the SMILES notation for 3-[2-(1-methylimidazol-2-yl)-3-propan-2-ylphenyl]pyridine?
The canonical SMILES for 3-[2-(1-methylimidazol-2-yl)-3-propan-2-ylphenyl]pyridine is CC(C)c1cccc(-c2cccnc2)c1-c1nccn1C.
What is the InChIKey of 3-[2-(1-methylimidazol-2-yl)-3-propan-2-ylphenyl]pyridine?
The InChIKey is VVEPYWWCJVTJGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N3/c1-13(2)15-7-4-8-16(14-6-5-9-19-12-14)17(15)18-20-10-11-21(18)3/h4-13H,1-3H3.
What are the key properties of 3-[2-(1-methylimidazol-2-yl)-3-propan-2-ylphenyl]pyridine?
3-[2-(1-methylimidazol-2-yl)-3-propan-2-ylphenyl]pyridine has a molecular weight of 277.37 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(1-methylimidazol-2-yl)-3-propan-2-ylphenyl]pyridine is sourced from PubChem (CID 143415543), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).