6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine

C29H25N3O — CID 164826244

IUPAC6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine
SMILESCc1ccc(-c2nc3ncc(C(C)(C)C)cc3n2-c2ccccc2)c2oc3ccccc3c12
InChIInChI=1S/C29H25N3O/c1-18-14-15-22(26-25(18)21-12-8-9-13-24(21)33-26)28-31-27-23(16-19(17-30-27)29(2,3)4)32(28)20-10-6-5-7-11-20/h5-17H,1-4H3
InChIKeyXVCDMICICBDWIP-UHFFFAOYSA-N
MW431.54 g/mol
LogP7.59
Rot. Bonds2

About 6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine

6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine (PubChem CID 164826244) has the molecular formula C29H25N3O and a molecular weight of 431.54 g/mol. Its IUPAC name is 6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine
PubChem CID164826244
Molecular FormulaC29H25N3O
Molecular Weight431.54 g/mol
Exact Mass431.20
IUPAC Name6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine
SMILESCc1ccc(-c2nc3ncc(C(C)(C)C)cc3n2-c2ccccc2)c2oc3ccccc3c12
InChIInChI=1S/C29H25N3O/c1-18-14-15-22(26-25(18)21-12-8-9-13-24(21)33-26)28-31-27-23(16-19(17-30-27)29(2,3)4)32(28)20-10-6-5-7-11-20/h5-17H,1-4H3
InChIKeyXVCDMICICBDWIP-UHFFFAOYSA-N
XLogP7.59
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500431.54
LogP ≤ 57.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine
CID 164826557
2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine
CID 164825150
[6-(6-tert-butyl-1-phenylimidazo[4,5-b]pyridin-2-yl)dibenzofuran-3-yl]-trimethylsilane
CID 164826115
6-(1-methyldibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine
CID 164825734
7-tert-butyl-2-(1-methyldibenzofuran-4-yl)-3-phenylimidazo[4,5-c]pyridine
CID 164825336
7-methyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-c]pyridine
CID 164826577
3-phenyl-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine
CID 156658601
2-(1-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine
CID 164825457
9-[4-[10-(4-tert-butylphenyl)anthracen-9-yl]phenyl]-3-(1-methyldibenzofuran-4-yl)carbazole
CID 123842578
3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyldibenzofuran-4-yl)imidazo[4,5-c]pyridine
CID 156657222
6-methyl-1-phenyl-2-(7-phenyldibenzofuran-4-yl)imidazo[4,5-b]pyridine
CID 164826959
6-(1-fluorodibenzofuran-4-yl)-5-phenylimidazo[4,5-e]tetrazine
CID 164824366

Frequently Asked Questions

What is the IUPAC name of 6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine?
The IUPAC name of 6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine (CID 164826244) is 6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine.
What is the SMILES notation for 6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine?
The canonical SMILES for 6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine is Cc1ccc(-c2nc3ncc(C(C)(C)C)cc3n2-c2ccccc2)c2oc3ccccc3c12.
What is the InChIKey of 6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine?
The InChIKey is XVCDMICICBDWIP-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O/c1-18-14-15-22(26-25(18)21-12-8-9-13-24(21)33-26)28-31-27-23(16-19(17-30-27)29(2,3)4)32(28)20-10-6-5-7-11-20/h5-17H,1-4H3.
What are the key properties of 6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine?
6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine has a molecular weight of 431.54 g/mol, XLogP of 7.59, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine is sourced from PubChem (CID 164826244), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).