2-tert-butyl-4-methyl-5-(1-phenylimidazol-2-yl)pyridine

C19H21N3 — CID 153439411

IUPAC2-tert-butyl-4-methyl-5-(1-phenylimidazol-2-yl)pyridine
SMILESCc1cc(C(C)(C)C)ncc1-c1nccn1-c1ccccc1
InChIInChI=1S/C19H21N3/c1-14-12-17(19(2,3)4)21-13-16(14)18-20-10-11-22(18)15-8-6-5-7-9-15/h5-13H,1-4H3
InChIKeyKSODDSVSRZCULL-UHFFFAOYSA-N
MW291.40 g/mol
LogP4.54
Rot. Bonds2

About 2-tert-butyl-4-methyl-5-(1-phenylimidazol-2-yl)pyridine

2-tert-butyl-4-methyl-5-(1-phenylimidazol-2-yl)pyridine (PubChem CID 153439411) has the molecular formula C19H21N3 and a molecular weight of 291.40 g/mol. Its IUPAC name is 2-tert-butyl-4-methyl-5-(1-phenylimidazol-2-yl)pyridine.

Molecular Properties

Compound Name2-tert-butyl-4-methyl-5-(1-phenylimidazol-2-yl)pyridine
PubChem CID153439411
Molecular FormulaC19H21N3
Molecular Weight291.40 g/mol
Exact Mass291.17
IUPAC Name2-tert-butyl-4-methyl-5-(1-phenylimidazol-2-yl)pyridine
SMILESCc1cc(C(C)(C)C)ncc1-c1nccn1-c1ccccc1
InChIInChI=1S/C19H21N3/c1-14-12-17(19(2,3)4)21-13-16(14)18-20-10-11-22(18)15-8-6-5-7-9-15/h5-13H,1-4H3
InChIKeyKSODDSVSRZCULL-UHFFFAOYSA-N
XLogP4.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.40
LogP ≤ 54.54
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

1-phenyl-2-[3-(1-phenylimidazol-2-yl)phenyl]imidazole
CID 58965505
1-phenyl-2-(3-phenylphenyl)imidazole
CID 157490154
2-(2-methoxyphenyl)-1-(4-methylphenyl)imidazole
CID 141122425
2-tert-butyl-5-(2,4-difluorophenyl)-4-methylpyridine
CID 121384487
3-(1-phenylimidazol-2-yl)phenol
CID 70654534
2-(3-bromophenyl)-1-phenylimidazole
CID 70654369
2-[3,11-diphenyl-10-(1-phenylimidazol-2-yl)tetraphenylen-2-yl]pyridine
CID 176737862
1-(2,6-ditert-butyl-4-methylphenyl)-2-phenylimidazole
CID 140703322
iridium(3+);tris(1-phenyl-2-phenylimidazole)
CID 58401377
[3-(1-phenylimidazol-2-yl)phenyl]-bis(2,4,6-trimethylphenyl)borane
CID 140712995
1,2-bis(3,5-diphenylphenyl)imidazole
CID 90181054
1-(4-methyl-2,6-diphenylphenyl)-2-(2-methylphenyl)imidazole
CID 58750814

Frequently Asked Questions

What is the IUPAC name of 2-tert-butyl-4-methyl-5-(1-phenylimidazol-2-yl)pyridine?
The IUPAC name of 2-tert-butyl-4-methyl-5-(1-phenylimidazol-2-yl)pyridine (CID 153439411) is 2-tert-butyl-4-methyl-5-(1-phenylimidazol-2-yl)pyridine.
What is the SMILES notation for 2-tert-butyl-4-methyl-5-(1-phenylimidazol-2-yl)pyridine?
The canonical SMILES for 2-tert-butyl-4-methyl-5-(1-phenylimidazol-2-yl)pyridine is Cc1cc(C(C)(C)C)ncc1-c1nccn1-c1ccccc1.
What is the InChIKey of 2-tert-butyl-4-methyl-5-(1-phenylimidazol-2-yl)pyridine?
The InChIKey is KSODDSVSRZCULL-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3/c1-14-12-17(19(2,3)4)21-13-16(14)18-20-10-11-22(18)15-8-6-5-7-9-15/h5-13H,1-4H3.
What are the key properties of 2-tert-butyl-4-methyl-5-(1-phenylimidazol-2-yl)pyridine?
2-tert-butyl-4-methyl-5-(1-phenylimidazol-2-yl)pyridine has a molecular weight of 291.40 g/mol, XLogP of 4.54, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-tert-butyl-4-methyl-5-(1-phenylimidazol-2-yl)pyridine is sourced from PubChem (CID 153439411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).