2-(1-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine

C25H16FN3O — CID 164825457

IUPAC2-(1-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine
SMILESCc1cc2c(cn1)nc(-c1ccc(F)c3c1oc1ccccc13)n2-c1ccccc1
InChIInChI=1S/C25H16FN3O/c1-15-13-21-20(14-27-15)28-25(29(21)16-7-3-2-4-8-16)18-11-12-19(26)23-17-9-5-6-10-22(17)30-24(18)23/h2-14H,1H3
InChIKeyUSWZDRCPDDDTCN-UHFFFAOYSA-N
MW393.42 g/mol
LogP6.43
Rot. Bonds2

About 2-(1-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine

2-(1-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine (PubChem CID 164825457) has the molecular formula C25H16FN3O and a molecular weight of 393.42 g/mol. Its IUPAC name is 2-(1-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name2-(1-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine
PubChem CID164825457
Molecular FormulaC25H16FN3O
Molecular Weight393.42 g/mol
Exact Mass393.13
IUPAC Name2-(1-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine
SMILESCc1cc2c(cn1)nc(-c1ccc(F)c3c1oc1ccccc13)n2-c1ccccc1
InChIInChI=1S/C25H16FN3O/c1-15-13-21-20(14-27-15)28-25(29(21)16-7-3-2-4-8-16)18-11-12-19(26)23-17-9-5-6-10-22(17)30-24(18)23/h2-14H,1H3
InChIKeyUSWZDRCPDDDTCN-UHFFFAOYSA-N
XLogP6.43
TPSA43.85 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms30
Complexity

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.42
LogP ≤ 56.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(1-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine?
The IUPAC name of 2-(1-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine (CID 164825457) is 2-(1-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine.
What is the SMILES notation for 2-(1-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine?
The canonical SMILES for 2-(1-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine is Cc1cc2c(cn1)nc(-c1ccc(F)c3c1oc1ccccc13)n2-c1ccccc1.
What is the InChIKey of 2-(1-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine?
The InChIKey is USWZDRCPDDDTCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H16FN3O/c1-15-13-21-20(14-27-15)28-25(29(21)16-7-3-2-4-8-16)18-11-12-19(26)23-17-9-5-6-10-22(17)30-24(18)23/h2-14H,1H3.
What are the key properties of 2-(1-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine?
2-(1-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine has a molecular weight of 393.42 g/mol, XLogP of 6.43, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-fluorodibenzofuran-4-yl)-6-methyl-1-phenylimidazo[4,5-c]pyridine is sourced from PubChem (CID 164825457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).