1-[(3-tert-butyl-1,2-dihydroimidazol-4-yl)methyl]-2H-pyridine

C13H21N3 — CID 91093244

IUPAC1-[(3-tert-butyl-1,2-dihydroimidazol-4-yl)methyl]-2H-pyridine
SMILESCC(C)(C)N1CNC=C1CN1C=CC=CC1
InChIInChI=1S/C13H21N3/c1-13(2,3)16-11-14-9-12(16)10-15-7-5-4-6-8-15/h4-7,9,14H,8,10-11H2,1-3H3
InChIKeyVLGQMOJHYWUOBD-UHFFFAOYSA-N
MW219.33 g/mol
LogP1.87
Rot. Bonds2

About 1-[(3-tert-butyl-1,2-dihydroimidazol-4-yl)methyl]-2H-pyridine

1-[(3-tert-butyl-1,2-dihydroimidazol-4-yl)methyl]-2H-pyridine (PubChem CID 91093244) has the molecular formula C13H21N3 and a molecular weight of 219.33 g/mol. Its IUPAC name is 1-[(3-tert-butyl-1,2-dihydroimidazol-4-yl)methyl]-2H-pyridine.

Molecular Properties

Compound Name1-[(3-tert-butyl-1,2-dihydroimidazol-4-yl)methyl]-2H-pyridine
PubChem CID91093244
Molecular FormulaC13H21N3
Molecular Weight219.33 g/mol
Exact Mass219.17
IUPAC Name1-[(3-tert-butyl-1,2-dihydroimidazol-4-yl)methyl]-2H-pyridine
SMILESCC(C)(C)N1CNC=C1CN1C=CC=CC1
InChIInChI=1S/C13H21N3/c1-13(2,3)16-11-14-9-12(16)10-15-7-5-4-6-8-15/h4-7,9,14H,8,10-11H2,1-3H3
InChIKeyVLGQMOJHYWUOBD-UHFFFAOYSA-N
XLogP1.87
TPSA18.51 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.33
LogP ≤ 51.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[(3-tert-butyl-1,2-dihydroimidazol-4-yl)methyl]-2H-pyridine?
The IUPAC name of 1-[(3-tert-butyl-1,2-dihydroimidazol-4-yl)methyl]-2H-pyridine (CID 91093244) is 1-[(3-tert-butyl-1,2-dihydroimidazol-4-yl)methyl]-2H-pyridine.
What is the SMILES notation for 1-[(3-tert-butyl-1,2-dihydroimidazol-4-yl)methyl]-2H-pyridine?
The canonical SMILES for 1-[(3-tert-butyl-1,2-dihydroimidazol-4-yl)methyl]-2H-pyridine is CC(C)(C)N1CNC=C1CN1C=CC=CC1.
What is the InChIKey of 1-[(3-tert-butyl-1,2-dihydroimidazol-4-yl)methyl]-2H-pyridine?
The InChIKey is VLGQMOJHYWUOBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3/c1-13(2,3)16-11-14-9-12(16)10-15-7-5-4-6-8-15/h4-7,9,14H,8,10-11H2,1-3H3.
What are the key properties of 1-[(3-tert-butyl-1,2-dihydroimidazol-4-yl)methyl]-2H-pyridine?
1-[(3-tert-butyl-1,2-dihydroimidazol-4-yl)methyl]-2H-pyridine has a molecular weight of 219.33 g/mol, XLogP of 1.87, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-tert-butyl-1,2-dihydroimidazol-4-yl)methyl]-2H-pyridine is sourced from PubChem (CID 91093244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).