1-benzyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine

C25H18FN5O — CID 141490971

IUPAC1-benzyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine
SMILESNc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc2n1Cc1ccccc1
InChIInChI=1S/C25H18FN5O/c26-19-9-6-17(7-10-19)22-23(30-12-13-32-25(30)29-22)18-8-11-20-21(14-18)31(24(27)28-20)15-16-4-2-1-3-5-16/h1-14H,15H2,(H2,27,28)
InChIKeyZZSVFKOXGXREQG-UHFFFAOYSA-N
MW423.45 g/mol
LogP5.38
Rot. Bonds4

About 1-benzyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine

1-benzyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine (PubChem CID 141490971) has the molecular formula C25H18FN5O and a molecular weight of 423.45 g/mol. Its IUPAC name is 1-benzyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-benzyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine
PubChem CID141490971
Molecular FormulaC25H18FN5O
Molecular Weight423.45 g/mol
Exact Mass423.15
IUPAC Name1-benzyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine
SMILESNc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc2n1Cc1ccccc1
InChIInChI=1S/C25H18FN5O/c26-19-9-6-17(7-10-19)22-23(30-12-13-32-25(30)29-22)18-8-11-20-21(14-18)31(24(27)28-20)15-16-4-2-1-3-5-16/h1-14H,15H2,(H2,27,28)
InChIKeyZZSVFKOXGXREQG-UHFFFAOYSA-N
XLogP5.38
TPSA74.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500423.45
LogP ≤ 55.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine?
The IUPAC name of 1-benzyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine (CID 141490971) is 1-benzyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine.
What is the SMILES notation for 1-benzyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine?
The canonical SMILES for 1-benzyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine is Nc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc2n1Cc1ccccc1.
What is the InChIKey of 1-benzyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine?
The InChIKey is ZZSVFKOXGXREQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18FN5O/c26-19-9-6-17(7-10-19)22-23(30-12-13-32-25(30)29-22)18-8-11-20-21(14-18)31(24(27)28-20)15-16-4-2-1-3-5-16/h1-14H,15H2,(H2,27,28).
What are the key properties of 1-benzyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine?
1-benzyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine has a molecular weight of 423.45 g/mol, XLogP of 5.38, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine is sourced from PubChem (CID 141490971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).