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

C24H16FN5O — CID 141490959

IUPAC6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-phenylbenzimidazol-2-amine
SMILESNc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc2n1-c1ccccc1
InChIInChI=1S/C24H16FN5O/c25-17-9-6-15(7-10-17)21-22(29-12-13-31-24(29)28-21)16-8-11-19-20(14-16)30(23(26)27-19)18-4-2-1-3-5-18/h1-14H,(H2,26,27)
InChIKeyWVJQQHAVTMRXLX-UHFFFAOYSA-N
MW409.42 g/mol
LogP5.32
Rot. Bonds3

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

6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-phenylbenzimidazol-2-amine (PubChem CID 141490959) has the molecular formula C24H16FN5O and a molecular weight of 409.42 g/mol. Its IUPAC name is 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-phenylbenzimidazol-2-amine.

Molecular Properties

Compound Name6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-phenylbenzimidazol-2-amine
PubChem CID141490959
Molecular FormulaC24H16FN5O
Molecular Weight409.42 g/mol
Exact Mass409.13
IUPAC Name6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-phenylbenzimidazol-2-amine
SMILESNc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc2n1-c1ccccc1
InChIInChI=1S/C24H16FN5O/c25-17-9-6-15(7-10-17)21-22(29-12-13-31-24(29)28-21)16-8-11-19-20(14-16)30(23(26)27-19)18-4-2-1-3-5-18/h1-14H,(H2,26,27)
InChIKeyWVJQQHAVTMRXLX-UHFFFAOYSA-N
XLogP5.32
TPSA74.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500409.42
LogP ≤ 55.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-phenylbenzimidazol-2-amine?
The IUPAC name of 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-phenylbenzimidazol-2-amine (CID 141490959) is 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-phenylbenzimidazol-2-amine.
What is the SMILES notation for 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-phenylbenzimidazol-2-amine?
The canonical SMILES for 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-phenylbenzimidazol-2-amine is Nc1nc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc2n1-c1ccccc1.
What is the InChIKey of 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-phenylbenzimidazol-2-amine?
The InChIKey is WVJQQHAVTMRXLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16FN5O/c25-17-9-6-15(7-10-17)21-22(29-12-13-31-24(29)28-21)16-8-11-19-20(14-16)30(23(26)27-19)18-4-2-1-3-5-18/h1-14H,(H2,26,27).
What are the key properties of 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-phenylbenzimidazol-2-amine?
6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-phenylbenzimidazol-2-amine has a molecular weight of 409.42 g/mol, XLogP of 5.32, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-phenylbenzimidazol-2-amine is sourced from PubChem (CID 141490959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).