3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine

C26H20FN3O — CID 167209039

IUPAC3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine
SMILESCc1ccc2c(oc3cc(F)ccc32)c1N1c2ncccc2N(c2ccccc2)C1C
InChIInChI=1S/C26H20FN3O/c1-16-10-12-21-20-13-11-18(27)15-23(20)31-25(21)24(16)30-17(2)29(19-7-4-3-5-8-19)22-9-6-14-28-26(22)30/h3-15,17H,1-2H3
InChIKeyMEEHXKUMESHWFN-UHFFFAOYSA-N
MW409.46 g/mol
LogP7.06
Rot. Bonds2

About 3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine

3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine (PubChem CID 167209039) has the molecular formula C26H20FN3O and a molecular weight of 409.46 g/mol. Its IUPAC name is 3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine
PubChem CID167209039
Molecular FormulaC26H20FN3O
Molecular Weight409.46 g/mol
Exact Mass409.16
IUPAC Name3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine
SMILESCc1ccc2c(oc3cc(F)ccc32)c1N1c2ncccc2N(c2ccccc2)C1C
InChIInChI=1S/C26H20FN3O/c1-16-10-12-21-20-13-11-18(27)15-23(20)31-25(21)24(16)30-17(2)29(19-7-4-3-5-8-19)22-9-6-14-28-26(22)30/h3-15,17H,1-2H3
InChIKeyMEEHXKUMESHWFN-UHFFFAOYSA-N
XLogP7.06
TPSA32.51 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.46
LogP ≤ 57.06
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine?
The IUPAC name of 3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine (CID 167209039) is 3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine?
The canonical SMILES for 3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine is Cc1ccc2c(oc3cc(F)ccc32)c1N1c2ncccc2N(c2ccccc2)C1C.
What is the InChIKey of 3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine?
The InChIKey is MEEHXKUMESHWFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H20FN3O/c1-16-10-12-21-20-13-11-18(27)15-23(20)31-25(21)24(16)30-17(2)29(19-7-4-3-5-8-19)22-9-6-14-28-26(22)30/h3-15,17H,1-2H3.
What are the key properties of 3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine?
3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine has a molecular weight of 409.46 g/mol, XLogP of 7.06, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(7-fluoro-3-methyldibenzofuran-4-yl)-2-methyl-1-phenyl-2H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 167209039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).