6-(4-fluorophenyl)-5-(1-hydroxy-2-pyridin-4-ylbenzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole

C23H14FN5O2 — CID 59457800

IUPAC6-(4-fluorophenyl)-5-(1-hydroxy-2-pyridin-4-ylbenzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole
SMILESOn1c(-c2ccncc2)nc2cc(-c3c(-c4ccc(F)cc4)nc4occn34)ccc21
InChIInChI=1S/C23H14FN5O2/c24-17-4-1-14(2-5-17)20-21(28-11-12-31-23(28)27-20)16-3-6-19-18(13-16)26-22(29(19)30)15-7-9-25-10-8-15/h1-13,30H
InChIKeyDFTPCPNGAXUKGX-UHFFFAOYSA-N
MW411.40 g/mol
LogP5.05
Rot. Bonds3

About 6-(4-fluorophenyl)-5-(1-hydroxy-2-pyridin-4-ylbenzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole

6-(4-fluorophenyl)-5-(1-hydroxy-2-pyridin-4-ylbenzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole (PubChem CID 59457800) has the molecular formula C23H14FN5O2 and a molecular weight of 411.40 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-(1-hydroxy-2-pyridin-4-ylbenzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-(1-hydroxy-2-pyridin-4-ylbenzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole
PubChem CID59457800
Molecular FormulaC23H14FN5O2
Molecular Weight411.40 g/mol
Exact Mass411.11
IUPAC Name6-(4-fluorophenyl)-5-(1-hydroxy-2-pyridin-4-ylbenzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole
SMILESOn1c(-c2ccncc2)nc2cc(-c3c(-c4ccc(F)cc4)nc4occn34)ccc21
InChIInChI=1S/C23H14FN5O2/c24-17-4-1-14(2-5-17)20-21(28-11-12-31-23(28)27-20)16-3-6-19-18(13-16)26-22(29(19)30)15-7-9-25-10-8-15/h1-13,30H
InChIKeyDFTPCPNGAXUKGX-UHFFFAOYSA-N
XLogP5.05
TPSA81.38 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500411.40
LogP ≤ 55.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-hydroxyl_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-(1-hydroxy-2-pyridin-4-ylbenzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 6-(4-fluorophenyl)-5-(1-hydroxy-2-pyridin-4-ylbenzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole (CID 59457800) is 6-(4-fluorophenyl)-5-(1-hydroxy-2-pyridin-4-ylbenzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-(4-fluorophenyl)-5-(1-hydroxy-2-pyridin-4-ylbenzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-(4-fluorophenyl)-5-(1-hydroxy-2-pyridin-4-ylbenzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole is On1c(-c2ccncc2)nc2cc(-c3c(-c4ccc(F)cc4)nc4occn34)ccc21.
What is the InChIKey of 6-(4-fluorophenyl)-5-(1-hydroxy-2-pyridin-4-ylbenzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is DFTPCPNGAXUKGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN5O2/c24-17-4-1-14(2-5-17)20-21(28-11-12-31-23(28)27-20)16-3-6-19-18(13-16)26-22(29(19)30)15-7-9-25-10-8-15/h1-13,30H.
What are the key properties of 6-(4-fluorophenyl)-5-(1-hydroxy-2-pyridin-4-ylbenzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole?
6-(4-fluorophenyl)-5-(1-hydroxy-2-pyridin-4-ylbenzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 411.40 g/mol, XLogP of 5.05, 3 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-(1-hydroxy-2-pyridin-4-ylbenzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 59457800), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).