2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-6-methylpyridine

C23H29N3 — CID 25026056

IUPAC2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-6-methylpyridine
SMILESCCC(C)(C)Cc1cnc(CCc2ccc(-c3cccc(C)n3)cc2)[nH]1
InChIInChI=1S/C23H29N3/c1-5-23(3,4)15-20-16-24-22(26-20)14-11-18-9-12-19(13-10-18)21-8-6-7-17(2)25-21/h6-10,12-13,16H,5,11,14-15H2,1-4H3,(H,24,26)
InChIKeyVJXWSROEQCKQGJ-UHFFFAOYSA-N
MW347.51 g/mol
LogP5.54
Rot. Bonds7

About 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-6-methylpyridine

2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-6-methylpyridine (PubChem CID 25026056) has the molecular formula C23H29N3 and a molecular weight of 347.51 g/mol. Its IUPAC name is 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-6-methylpyridine.

Molecular Properties

Compound Name2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-6-methylpyridine
PubChem CID25026056
Molecular FormulaC23H29N3
Molecular Weight347.51 g/mol
Exact Mass347.24
IUPAC Name2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-6-methylpyridine
SMILESCCC(C)(C)Cc1cnc(CCc2ccc(-c3cccc(C)n3)cc2)[nH]1
InChIInChI=1S/C23H29N3/c1-5-23(3,4)15-20-16-24-22(26-20)14-11-18-9-12-19(13-10-18)21-8-6-7-17(2)25-21/h6-10,12-13,16H,5,11,14-15H2,1-4H3,(H,24,26)
InChIKeyVJXWSROEQCKQGJ-UHFFFAOYSA-N
XLogP5.54
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500347.51
LogP ≤ 55.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-Amino-1-Methyl-6-Phenylimidazo(4,5-b)Pyridine
CID 1530
Mavorixafor
CID 11256587
Mifentidine
CID 71263
4-Phenylimidazole
CID 69590
2-(pyridin-3-yl)-1H-1,3-benzodiazole
CID 247635
2-(3-Trifluoromethylphenyl)histamine
CID 5310982
3-(1H-imidazol-5-yl)pyridine
CID 3040177
Immethridine
CID 9989505
4-(4-fluorophenyl)-1H-imidazole
CID 657876
4,5-Diphenyl-2-methylimidazole
CID 236696
2-(pyridin-4-yl)-1H-1,3-benzodiazole
CID 247634
6-Methyl-2-(4-methylphenyl)imidazo(1,2-a)pyridine
CID 667720

Frequently Asked Questions

What is the IUPAC name of 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-6-methylpyridine?
The IUPAC name of 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-6-methylpyridine (CID 25026056) is 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-6-methylpyridine.
What is the SMILES notation for 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-6-methylpyridine?
The canonical SMILES for 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-6-methylpyridine is CCC(C)(C)Cc1cnc(CCc2ccc(-c3cccc(C)n3)cc2)[nH]1.
What is the InChIKey of 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-6-methylpyridine?
The InChIKey is VJXWSROEQCKQGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3/c1-5-23(3,4)15-20-16-24-22(26-20)14-11-18-9-12-19(13-10-18)21-8-6-7-17(2)25-21/h6-10,12-13,16H,5,11,14-15H2,1-4H3,(H,24,26).
What are the key properties of 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-6-methylpyridine?
2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-6-methylpyridine has a molecular weight of 347.51 g/mol, XLogP of 5.54, 7 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]-6-methylpyridine is sourced from PubChem (CID 25026056), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).