5-tert-butyl-2-(2-propylimidazol-1-yl)pyridine

C15H21N3 — CID 114011755

IUPAC5-tert-butyl-2-(2-propylimidazol-1-yl)pyridine
SMILESCCCc1nccn1-c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C15H21N3/c1-5-6-13-16-9-10-18(13)14-8-7-12(11-17-14)15(2,3)4/h7-11H,5-6H2,1-4H3
InChIKeyDHCGCTPOPVCMBR-UHFFFAOYSA-N
MW243.35 g/mol
LogP3.52
Rot. Bonds3

About 5-tert-butyl-2-(2-propylimidazol-1-yl)pyridine

5-tert-butyl-2-(2-propylimidazol-1-yl)pyridine (PubChem CID 114011755) has the molecular formula C15H21N3 and a molecular weight of 243.35 g/mol. Its IUPAC name is 5-tert-butyl-2-(2-propylimidazol-1-yl)pyridine.

Molecular Properties

Compound Name5-tert-butyl-2-(2-propylimidazol-1-yl)pyridine
PubChem CID114011755
Molecular FormulaC15H21N3
Molecular Weight243.35 g/mol
Exact Mass243.17
IUPAC Name5-tert-butyl-2-(2-propylimidazol-1-yl)pyridine
SMILESCCCc1nccn1-c1ccc(C(C)(C)C)cn1
InChIInChI=1S/C15H21N3/c1-5-6-13-16-9-10-18(13)14-8-7-12(11-17-14)15(2,3)4/h7-11H,5-6H2,1-4H3
InChIKeyDHCGCTPOPVCMBR-UHFFFAOYSA-N
XLogP3.52
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.35
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-[1-(5-tert-butyl-2-pyridinyl)imidazol-2-yl]ethanamine
CID 114011696
[4-(2-propylimidazol-1-yl)pyrimidin-2-yl]hydrazine
CID 80903504
3-(2-propylimidazol-1-yl)quinoline
CID 50972942
N-[[3-chloro-4-(2-propylimidazol-1-yl)phenyl]methyl]-2-methylpropan-2-amine
CID 81145297
(1R)-1-[4-(2-propylimidazol-1-yl)phenyl]propan-1-amine
CID 114066424
N-ethyl-6-(2-methylimidazol-1-yl)pyridin-3-amine
CID 43748706
N-methyl-1-[5-(2-propylimidazol-1-yl)-2-pyridinyl]ethanamine
CID 83127825
1-[3-(chloromethyl)phenyl]-2-propylimidazole
CID 112594438
3-(chloromethyl)-4-(2-propylimidazol-1-yl)pyridine
CID 81234307
2-(2-propylimidazol-1-yl)pyrimidin-4-amine
CID 116798084
N-[[6-(2-propylimidazol-1-yl)pyrazin-2-yl]methyl]propan-1-amine
CID 66451540
2,5-ditert-butylpyridine;propane
CID 158805083

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-(2-propylimidazol-1-yl)pyridine?
The IUPAC name of 5-tert-butyl-2-(2-propylimidazol-1-yl)pyridine (CID 114011755) is 5-tert-butyl-2-(2-propylimidazol-1-yl)pyridine.
What is the SMILES notation for 5-tert-butyl-2-(2-propylimidazol-1-yl)pyridine?
The canonical SMILES for 5-tert-butyl-2-(2-propylimidazol-1-yl)pyridine is CCCc1nccn1-c1ccc(C(C)(C)C)cn1.
What is the InChIKey of 5-tert-butyl-2-(2-propylimidazol-1-yl)pyridine?
The InChIKey is DHCGCTPOPVCMBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N3/c1-5-6-13-16-9-10-18(13)14-8-7-12(11-17-14)15(2,3)4/h7-11H,5-6H2,1-4H3.
What are the key properties of 5-tert-butyl-2-(2-propylimidazol-1-yl)pyridine?
5-tert-butyl-2-(2-propylimidazol-1-yl)pyridine has a molecular weight of 243.35 g/mol, XLogP of 3.52, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-(2-propylimidazol-1-yl)pyridine is sourced from PubChem (CID 114011755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).