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

C23H14FN5O — CID 59457791

IUPAC6-(4-fluorophenyl)-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole
SMILESFc1ccc(-c2nc3occn3c2-c2ccc3nc(-c4ccncc4)[nH]c3c2)cc1
InChIInChI=1S/C23H14FN5O/c24-17-4-1-14(2-5-17)20-21(29-11-12-30-23(29)28-20)16-3-6-18-19(13-16)27-22(26-18)15-7-9-25-10-8-15/h1-13H,(H,26,27)
InChIKeyQPLDQCNMDFJVGS-UHFFFAOYSA-N
MW395.40 g/mol
LogP5.34
Rot. Bonds3

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

6-(4-fluorophenyl)-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole (PubChem CID 59457791) has the molecular formula C23H14FN5O and a molecular weight of 395.40 g/mol. Its IUPAC name is 6-(4-fluorophenyl)-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole.

Molecular Properties

Compound Name6-(4-fluorophenyl)-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole
PubChem CID59457791
Molecular FormulaC23H14FN5O
Molecular Weight395.40 g/mol
Exact Mass395.12
IUPAC Name6-(4-fluorophenyl)-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole
SMILESFc1ccc(-c2nc3occn3c2-c2ccc3nc(-c4ccncc4)[nH]c3c2)cc1
InChIInChI=1S/C23H14FN5O/c24-17-4-1-14(2-5-17)20-21(29-11-12-30-23(29)28-20)16-3-6-18-19(13-16)27-22(26-18)15-7-9-25-10-8-15/h1-13H,(H,26,27)
InChIKeyQPLDQCNMDFJVGS-UHFFFAOYSA-N
XLogP5.34
TPSA72.01 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.40
LogP ≤ 55.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-(4-fluorophenyl)-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole?
The IUPAC name of 6-(4-fluorophenyl)-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole (CID 59457791) is 6-(4-fluorophenyl)-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole.
What is the SMILES notation for 6-(4-fluorophenyl)-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole?
The canonical SMILES for 6-(4-fluorophenyl)-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole is Fc1ccc(-c2nc3occn3c2-c2ccc3nc(-c4ccncc4)[nH]c3c2)cc1.
What is the InChIKey of 6-(4-fluorophenyl)-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole?
The InChIKey is QPLDQCNMDFJVGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H14FN5O/c24-17-4-1-14(2-5-17)20-21(29-11-12-30-23(29)28-20)16-3-6-18-19(13-16)27-22(26-18)15-7-9-25-10-8-15/h1-13H,(H,26,27).
What are the key properties of 6-(4-fluorophenyl)-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole?
6-(4-fluorophenyl)-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole has a molecular weight of 395.40 g/mol, XLogP of 5.34, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-fluorophenyl)-5-(2-pyridin-4-yl-3H-benzimidazol-5-yl)imidazo[2,1-b][1,3]oxazole is sourced from PubChem (CID 59457791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).