2-tert-butyl-5-(1H-imidazol-2-yl)pyridine

C12H15N3 — CID 20709460

IUPAC2-tert-butyl-5-(1H-imidazol-2-yl)pyridine
SMILESCC(C)(C)c1ccc(-c2ncc[nH]2)cn1
InChIInChI=1S/C12H15N3/c1-12(2,3)10-5-4-9(8-15-10)11-13-6-7-14-11/h4-8H,1-3H3,(H,13,14)
InChIKeyOZYQYEIXXOIMMV-UHFFFAOYSA-N
MW201.27 g/mol
LogP2.77
Rot. Bonds1

About 2-tert-butyl-5-(1H-imidazol-2-yl)pyridine

2-tert-butyl-5-(1H-imidazol-2-yl)pyridine (PubChem CID 20709460) has the molecular formula C12H15N3 and a molecular weight of 201.27 g/mol. Its IUPAC name is 2-tert-butyl-5-(1H-imidazol-2-yl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-5-(1H-imidazol-2-yl)pyridine
PubChem CID20709460
Molecular FormulaC12H15N3
Molecular Weight201.27 g/mol
Exact Mass201.13
IUPAC Name2-tert-butyl-5-(1H-imidazol-2-yl)pyridine
SMILESCC(C)(C)c1ccc(-c2ncc[nH]2)cn1
InChIInChI=1S/C12H15N3/c1-12(2,3)10-5-4-9(8-15-10)11-13-6-7-14-11/h4-8H,1-3H3,(H,13,14)
InChIKeyOZYQYEIXXOIMMV-UHFFFAOYSA-N
XLogP2.77
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.27
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

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ethane;2-phenyl-1H-imidazole
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2-(3,4-dimethylphenyl)-1H-imidazole
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2-(4-bromophenyl)-1H-imidazole;hydrobromide
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4-(6-tert-butyl-3-pyridinyl)-N,N-dimethylaniline
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4-(1H-imidazol-2-yl)benzoate
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4-(1H-imidazol-2-yl)benzoic acid;hydrochloride
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tris(2-(1H-imidazol-2-yl)-1H-imidazole);ruthenium
CID 20805474
3-(1H-imidazol-2-yl)-1-oxidopyridin-1-ium
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ethane;2-naphthalen-2-yl-1H-imidazole
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2-fluoro-5-(1H-imidazol-2-yl)-3-methylpyridine
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Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-5-(1H-imidazol-2-yl)pyridine?
The IUPAC name of 2-tert-butyl-5-(1H-imidazol-2-yl)pyridine (CID 20709460) is 2-tert-butyl-5-(1H-imidazol-2-yl)pyridine.
What is the SMILES notation for 2-tert-butyl-5-(1H-imidazol-2-yl)pyridine?
The canonical SMILES for 2-tert-butyl-5-(1H-imidazol-2-yl)pyridine is CC(C)(C)c1ccc(-c2ncc[nH]2)cn1.
What is the InChIKey of 2-tert-butyl-5-(1H-imidazol-2-yl)pyridine?
The InChIKey is OZYQYEIXXOIMMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3/c1-12(2,3)10-5-4-9(8-15-10)11-13-6-7-14-11/h4-8H,1-3H3,(H,13,14).
What are the key properties of 2-tert-butyl-5-(1H-imidazol-2-yl)pyridine?
2-tert-butyl-5-(1H-imidazol-2-yl)pyridine has a molecular weight of 201.27 g/mol, XLogP of 2.77, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-5-(1H-imidazol-2-yl)pyridine is sourced from PubChem (CID 20709460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).