2-butan-2-yl-5-(5-cyclobutyl-1H-imidazol-2-yl)pyridine

C16H21N3 — CID 123998942

IUPAC2-butan-2-yl-5-(5-cyclobutyl-1H-imidazol-2-yl)pyridine
SMILESCCC(C)c1ccc(-c2ncc(C3CCC3)[nH]2)cn1
InChIInChI=1S/C16H21N3/c1-3-11(2)14-8-7-13(9-17-14)16-18-10-15(19-16)12-5-4-6-12/h7-12H,3-6H2,1-2H3,(H,18,19)
InChIKeyJDTRVEOYPFJIAM-UHFFFAOYSA-N
MW255.36 g/mol
LogP4.25
Rot. Bonds4

About 2-butan-2-yl-5-(5-cyclobutyl-1H-imidazol-2-yl)pyridine

2-butan-2-yl-5-(5-cyclobutyl-1H-imidazol-2-yl)pyridine (PubChem CID 123998942) has the molecular formula C16H21N3 and a molecular weight of 255.36 g/mol. Its IUPAC name is 2-butan-2-yl-5-(5-cyclobutyl-1H-imidazol-2-yl)pyridine.

Molecular Properties

Compound Name2-butan-2-yl-5-(5-cyclobutyl-1H-imidazol-2-yl)pyridine
PubChem CID123998942
Molecular FormulaC16H21N3
Molecular Weight255.36 g/mol
Exact Mass255.17
IUPAC Name2-butan-2-yl-5-(5-cyclobutyl-1H-imidazol-2-yl)pyridine
SMILESCCC(C)c1ccc(-c2ncc(C3CCC3)[nH]2)cn1
InChIInChI=1S/C16H21N3/c1-3-11(2)14-8-7-13(9-17-14)16-18-10-15(19-16)12-5-4-6-12/h7-12H,3-6H2,1-2H3,(H,18,19)
InChIKeyJDTRVEOYPFJIAM-UHFFFAOYSA-N
XLogP4.25
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500255.36
LogP ≤ 54.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-butan-2-yl-5-(5-cyclobutyl-1H-imidazol-2-yl)pyridine?
The IUPAC name of 2-butan-2-yl-5-(5-cyclobutyl-1H-imidazol-2-yl)pyridine (CID 123998942) is 2-butan-2-yl-5-(5-cyclobutyl-1H-imidazol-2-yl)pyridine.
What is the SMILES notation for 2-butan-2-yl-5-(5-cyclobutyl-1H-imidazol-2-yl)pyridine?
The canonical SMILES for 2-butan-2-yl-5-(5-cyclobutyl-1H-imidazol-2-yl)pyridine is CCC(C)c1ccc(-c2ncc(C3CCC3)[nH]2)cn1.
What is the InChIKey of 2-butan-2-yl-5-(5-cyclobutyl-1H-imidazol-2-yl)pyridine?
The InChIKey is JDTRVEOYPFJIAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21N3/c1-3-11(2)14-8-7-13(9-17-14)16-18-10-15(19-16)12-5-4-6-12/h7-12H,3-6H2,1-2H3,(H,18,19).
What are the key properties of 2-butan-2-yl-5-(5-cyclobutyl-1H-imidazol-2-yl)pyridine?
2-butan-2-yl-5-(5-cyclobutyl-1H-imidazol-2-yl)pyridine has a molecular weight of 255.36 g/mol, XLogP of 4.25, 4 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butan-2-yl-5-(5-cyclobutyl-1H-imidazol-2-yl)pyridine is sourced from PubChem (CID 123998942), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).