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

C22H27N3 — CID 25025860

IUPAC2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]pyridine
SMILESCCC(C)(C)Cc1cnc(CCc2ccc(-c3ccccn3)cc2)[nH]1
InChIInChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25)
InChIKeyWVAKRQOMAINQPU-UHFFFAOYSA-N
MW333.48 g/mol
LogP5.24
Rot. Bonds7

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

2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]pyridine (PubChem CID 25025860) has the molecular formula C22H27N3 and a molecular weight of 333.48 g/mol. Its IUPAC name is 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]pyridine.

Molecular Properties

Compound Name2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]pyridine
PubChem CID25025860
Molecular FormulaC22H27N3
Molecular Weight333.48 g/mol
Exact Mass333.22
IUPAC Name2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]pyridine
SMILESCCC(C)(C)Cc1cnc(CCc2ccc(-c3ccccn3)cc2)[nH]1
InChIInChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25)
InChIKeyWVAKRQOMAINQPU-UHFFFAOYSA-N
XLogP5.24
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500333.48
LogP ≤ 55.24
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]pyridine?
The IUPAC name of 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]pyridine (CID 25025860) is 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]pyridine.
What is the SMILES notation for 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]pyridine?
The canonical SMILES for 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]pyridine is CCC(C)(C)Cc1cnc(CCc2ccc(-c3ccccn3)cc2)[nH]1.
What is the InChIKey of 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]pyridine?
The InChIKey is WVAKRQOMAINQPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3/c1-4-22(2,3)15-19-16-24-21(25-19)13-10-17-8-11-18(12-9-17)20-7-5-6-14-23-20/h5-9,11-12,14,16H,4,10,13,15H2,1-3H3,(H,24,25).
What are the key properties of 2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]pyridine?
2-[4-[2-[5-(2,2-dimethylbutyl)-1H-imidazol-2-yl]ethyl]phenyl]pyridine has a molecular weight of 333.48 g/mol, XLogP of 5.24, 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]pyridine is sourced from PubChem (CID 25025860), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).