3-phenyl-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine

C25H17N3O — CID 156658601

IUPAC3-phenyl-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2nc3ccncc3n2-c2ccccc2)c2oc3ccccc3c12
InChIInChI=1S/C25H17N3O/c1-16-11-12-19(24-23(16)18-9-5-6-10-22(18)29-24)25-27-20-13-14-26-15-21(20)28(25)17-7-3-2-4-8-17/h2-15H,1H3/i1D3
InChIKeyUTROWMORGSQVSN-FIBGUPNXSA-N
MW378.45 g/mol
LogP6.30
Rot. Bonds3

About 3-phenyl-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine

3-phenyl-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine (PubChem CID 156658601) has the molecular formula C25H17N3O and a molecular weight of 378.45 g/mol. Its IUPAC name is 3-phenyl-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine.

Molecular Properties

Compound Name3-phenyl-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine
PubChem CID156658601
Molecular FormulaC25H17N3O
Molecular Weight378.45 g/mol
Exact Mass378.16
IUPAC Name3-phenyl-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine
SMILES[2H]C([2H])([2H])c1ccc(-c2nc3ccncc3n2-c2ccccc2)c2oc3ccccc3c12
InChIInChI=1S/C25H17N3O/c1-16-11-12-19(24-23(16)18-9-5-6-10-22(18)29-24)25-27-20-13-14-26-15-21(20)28(25)17-7-3-2-4-8-17/h2-15H,1H3/i1D3
InChIKeyUTROWMORGSQVSN-FIBGUPNXSA-N
XLogP6.30
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500378.45
LogP ≤ 56.30
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

2-dibenzofuran-4-yl-3-phenylimidazo[4,5-c]pyridine
CID 156658408
3-(2-tert-butyl-4-phenyl-6-propan-2-ylphenyl)-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine
CID 166498993
7-methyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-c]pyridine
CID 164826577
3-(2-tert-butyl-4-phenylphenyl)-2-(1-methyldibenzofuran-4-yl)imidazo[4,5-c]pyridine
CID 156657222
7-tert-butyl-2-(1-methyldibenzofuran-4-yl)-3-phenylimidazo[4,5-c]pyridine
CID 164825336
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
6-tert-butyl-2-(1-methyldibenzofuran-4-yl)-1-phenylimidazo[4,5-b]pyridine
CID 164826244
2-naphthalen-1-yl-3-phenylimidazo[4,5-c]pyridine
CID 134338004
2-(1-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine
CID 164825457
8-(3-methylimidazo[4,5-c]pyridin-2-yl)-2,5-bis(trideuteriomethyl)-[1]benzofuro[2,3-b]pyridine
CID 156669970
2-(1,7-dimethyldibenzofuran-4-yl)-3-[4-phenyl-2,6-di(propan-2-yl)phenyl]imidazo[4,5-c]pyridine
CID 156657144

Frequently Asked Questions

What is the IUPAC name of 3-phenyl-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine?
The IUPAC name of 3-phenyl-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine (CID 156658601) is 3-phenyl-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine.
What is the SMILES notation for 3-phenyl-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine?
The canonical SMILES for 3-phenyl-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine is [2H]C([2H])([2H])c1ccc(-c2nc3ccncc3n2-c2ccccc2)c2oc3ccccc3c12.
What is the InChIKey of 3-phenyl-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine?
The InChIKey is UTROWMORGSQVSN-FIBGUPNXSA-N. The full InChI is InChI=1S/C25H17N3O/c1-16-11-12-19(24-23(16)18-9-5-6-10-22(18)29-24)25-27-20-13-14-26-15-21(20)28(25)17-7-3-2-4-8-17/h2-15H,1H3/i1D3.
What are the key properties of 3-phenyl-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine?
3-phenyl-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine has a molecular weight of 378.45 g/mol, XLogP of 6.30, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-phenyl-2-[1-(trideuteriomethyl)dibenzofuran-4-yl]imidazo[4,5-c]pyridine is sourced from PubChem (CID 156658601), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).