7-tert-butyl-2-(1-methyldibenzofuran-4-yl)-3-phenylimidazo[4,5-c]pyridine

C29H25N3O — CID 164825336

IUPAC7-tert-butyl-2-(1-methyldibenzofuran-4-yl)-3-phenylimidazo[4,5-c]pyridine
SMILESCc1ccc(-c2nc3c(C(C)(C)C)cncc3n2-c2ccccc2)c2oc3ccccc3c12
InChIInChI=1S/C29H25N3O/c1-18-14-15-21(27-25(18)20-12-8-9-13-24(20)33-27)28-31-26-22(29(2,3)4)16-30-17-23(26)32(28)19-10-6-5-7-11-19/h5-17H,1-4H3
InChIKeyWYBGNYHIZCKGJQ-UHFFFAOYSA-N
MW431.54 g/mol
LogP7.59
Rot. Bonds2

About 7-tert-butyl-2-(1-methyldibenzofuran-4-yl)-3-phenylimidazo[4,5-c]pyridine

7-tert-butyl-2-(1-methyldibenzofuran-4-yl)-3-phenylimidazo[4,5-c]pyridine (PubChem CID 164825336) has the molecular formula C29H25N3O and a molecular weight of 431.54 g/mol. Its IUPAC name is 7-tert-butyl-2-(1-methyldibenzofuran-4-yl)-3-phenylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name7-tert-butyl-2-(1-methyldibenzofuran-4-yl)-3-phenylimidazo[4,5-c]pyridine
PubChem CID164825336
Molecular FormulaC29H25N3O
Molecular Weight431.54 g/mol
Exact Mass431.20
IUPAC Name7-tert-butyl-2-(1-methyldibenzofuran-4-yl)-3-phenylimidazo[4,5-c]pyridine
SMILESCc1ccc(-c2nc3c(C(C)(C)C)cncc3n2-c2ccccc2)c2oc3ccccc3c12
InChIInChI=1S/C29H25N3O/c1-18-14-15-21(27-25(18)20-12-8-9-13-24(20)33-27)28-31-26-22(29(2,3)4)16-30-17-23(26)32(28)19-10-6-5-7-11-19/h5-17H,1-4H3
InChIKeyWYBGNYHIZCKGJQ-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

7-tert-butyl-2-dibenzofuran-4-yl-3-phenylimidazo[4,5-c]pyridine
CID 164827202
6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine
CID 164826244
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
6-(1-methyldibenzofuran-4-yl)-5-phenylimidazo[4,5-c]pyridazine
CID 164825734
2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine
CID 164825150
3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyldibenzofuran-4-yl)imidazo[4,5-c]pyridine
CID 156657222
6-tert-butyl-2-dibenzofuran-4-yl-1-phenylimidazo[4,5-b]pyridine
CID 164826557
3-(2-tert-butyl-4-phenyl-6-propan-2-ylphenyl)-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine
CID 166498993
2-dibenzofuran-4-yl-3-phenylimidazo[4,5-c]pyridine
CID 156658408
2-(1-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine
CID 164825457
2-(1-fluorodibenzofuran-4-yl)-4-methyl-1-phenylimidazo[4,5-c]quinoline
CID 164826690

Frequently Asked Questions

What is the IUPAC name of 7-tert-butyl-2-(1-methyldibenzofuran-4-yl)-3-phenylimidazo[4,5-c]pyridine?
The IUPAC name of 7-tert-butyl-2-(1-methyldibenzofuran-4-yl)-3-phenylimidazo[4,5-c]pyridine (CID 164825336) is 7-tert-butyl-2-(1-methyldibenzofuran-4-yl)-3-phenylimidazo[4,5-c]pyridine.
What is the SMILES notation for 7-tert-butyl-2-(1-methyldibenzofuran-4-yl)-3-phenylimidazo[4,5-c]pyridine?
The canonical SMILES for 7-tert-butyl-2-(1-methyldibenzofuran-4-yl)-3-phenylimidazo[4,5-c]pyridine is Cc1ccc(-c2nc3c(C(C)(C)C)cncc3n2-c2ccccc2)c2oc3ccccc3c12.
What is the InChIKey of 7-tert-butyl-2-(1-methyldibenzofuran-4-yl)-3-phenylimidazo[4,5-c]pyridine?
The InChIKey is WYBGNYHIZCKGJQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H25N3O/c1-18-14-15-21(27-25(18)20-12-8-9-13-24(20)33-27)28-31-26-22(29(2,3)4)16-30-17-23(26)32(28)19-10-6-5-7-11-19/h5-17H,1-4H3.
What are the key properties of 7-tert-butyl-2-(1-methyldibenzofuran-4-yl)-3-phenylimidazo[4,5-c]pyridine?
7-tert-butyl-2-(1-methyldibenzofuran-4-yl)-3-phenylimidazo[4,5-c]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 7-tert-butyl-2-(1-methyldibenzofuran-4-yl)-3-phenylimidazo[4,5-c]pyridine is sourced from PubChem (CID 164825336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).