5-tert-butyl-2-[3-[2-(2,5-dimethylphenyl)-2-methylpropyl]-4-methoxyphenyl]imidazo[1,2-a]pyridine

C30H36N2O — CID 138655347

IUPAC5-tert-butyl-2-[3-[2-(2,5-dimethylphenyl)-2-methylpropyl]-4-methoxyphenyl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3c(C(C)(C)C)cccc3n2)cc1CC(C)(C)c1cc(C)ccc1C
InChIInChI=1S/C30H36N2O/c1-20-12-13-21(2)24(16-20)30(6,7)18-23-17-22(14-15-26(23)33-8)25-19-32-27(29(3,4)5)10-9-11-28(32)31-25/h9-17,19H,18H2,1-8H3
InChIKeyIWDBCCLAIZPCFH-UHFFFAOYSA-N
MW440.63 g/mol
LogP7.44
Rot. Bonds5

About 5-tert-butyl-2-[3-[2-(2,5-dimethylphenyl)-2-methylpropyl]-4-methoxyphenyl]imidazo[1,2-a]pyridine

5-tert-butyl-2-[3-[2-(2,5-dimethylphenyl)-2-methylpropyl]-4-methoxyphenyl]imidazo[1,2-a]pyridine (PubChem CID 138655347) has the molecular formula C30H36N2O and a molecular weight of 440.63 g/mol. Its IUPAC name is 5-tert-butyl-2-[3-[2-(2,5-dimethylphenyl)-2-methylpropyl]-4-methoxyphenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name5-tert-butyl-2-[3-[2-(2,5-dimethylphenyl)-2-methylpropyl]-4-methoxyphenyl]imidazo[1,2-a]pyridine
PubChem CID138655347
Molecular FormulaC30H36N2O
Molecular Weight440.63 g/mol
Exact Mass440.28
IUPAC Name5-tert-butyl-2-[3-[2-(2,5-dimethylphenyl)-2-methylpropyl]-4-methoxyphenyl]imidazo[1,2-a]pyridine
SMILESCOc1ccc(-c2cn3c(C(C)(C)C)cccc3n2)cc1CC(C)(C)c1cc(C)ccc1C
InChIInChI=1S/C30H36N2O/c1-20-12-13-21(2)24(16-20)30(6,7)18-23-17-22(14-15-26(23)33-8)25-19-32-27(29(3,4)5)10-9-11-28(32)31-25/h9-17,19H,18H2,1-8H3
InChIKeyIWDBCCLAIZPCFH-UHFFFAOYSA-N
XLogP7.44
TPSA26.53 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.63
LogP ≤ 57.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

3-tert-butyl-6-(5-tert-butylimidazo[1,2-a]pyridin-2-yl)imidazo[1,2-a]pyridine
CID 167182452
2-(2,5-dimethylphenyl)-1-(2-methoxy-5-methylphenyl)propan-2-ol
CID 62159640
2-(3,4-dimethoxyphenyl)-6-methylimidazo[1,2-a]pyridine
CID 622689
2-(4-methoxyphenyl)-5-methylimidazo[1,2-a]pyridine;hydrobromide
CID 19234166
2-(3,4-dimethoxyphenyl)-7-methylimidazo[1,2-a]pyridin-6-amine
CID 82060154
2-tert-butyl-1-methoxy-4-methylbenzene;1,3-ditert-butyl-2-methoxybenzene
CID 143390166
3-(5-methylimidazo[1,2-a]pyridin-2-yl)aniline
CID 2771080
N-[2-methoxy-5-(7-methylimidazo[1,2-a]pyridin-2-yl)phenyl]-2-[3-(trifluoromethyl)phenyl]acetamide
CID 122322947
4-(3-tert-butyl-4-methoxyphenyl)imidazole-1,2-diamine
CID 82301803
4-[2-hydroxy-1-(2-methoxy-5-methylphenyl)propan-2-yl]phenol
CID 83075942
2-(2,4-dimethylphenyl)-5-methylimidazo[1,2-a]pyridine;hydrobromide
CID 19234163
2-[2-(bromomethyl)-2,3-dimethylbutyl]-1-methoxy-4-methylbenzene
CID 83153060

Frequently Asked Questions

What is the IUPAC name of 5-tert-butyl-2-[3-[2-(2,5-dimethylphenyl)-2-methylpropyl]-4-methoxyphenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 5-tert-butyl-2-[3-[2-(2,5-dimethylphenyl)-2-methylpropyl]-4-methoxyphenyl]imidazo[1,2-a]pyridine (CID 138655347) is 5-tert-butyl-2-[3-[2-(2,5-dimethylphenyl)-2-methylpropyl]-4-methoxyphenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 5-tert-butyl-2-[3-[2-(2,5-dimethylphenyl)-2-methylpropyl]-4-methoxyphenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 5-tert-butyl-2-[3-[2-(2,5-dimethylphenyl)-2-methylpropyl]-4-methoxyphenyl]imidazo[1,2-a]pyridine is COc1ccc(-c2cn3c(C(C)(C)C)cccc3n2)cc1CC(C)(C)c1cc(C)ccc1C.
What is the InChIKey of 5-tert-butyl-2-[3-[2-(2,5-dimethylphenyl)-2-methylpropyl]-4-methoxyphenyl]imidazo[1,2-a]pyridine?
The InChIKey is IWDBCCLAIZPCFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H36N2O/c1-20-12-13-21(2)24(16-20)30(6,7)18-23-17-22(14-15-26(23)33-8)25-19-32-27(29(3,4)5)10-9-11-28(32)31-25/h9-17,19H,18H2,1-8H3.
What are the key properties of 5-tert-butyl-2-[3-[2-(2,5-dimethylphenyl)-2-methylpropyl]-4-methoxyphenyl]imidazo[1,2-a]pyridine?
5-tert-butyl-2-[3-[2-(2,5-dimethylphenyl)-2-methylpropyl]-4-methoxyphenyl]imidazo[1,2-a]pyridine has a molecular weight of 440.63 g/mol, XLogP of 7.44, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-tert-butyl-2-[3-[2-(2,5-dimethylphenyl)-2-methylpropyl]-4-methoxyphenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 138655347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).