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

C22H19F2N5O — CID 141490957

IUPAC4-fluoro-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine
SMILESCC(C)Cn1c(N)nc2c(F)cc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21
InChIInChI=1S/C22H19F2N5O/c1-12(2)11-29-17-10-14(9-16(24)19(17)26-21(29)25)20-18(13-3-5-15(23)6-4-13)27-22-28(20)7-8-30-22/h3-10,12H,11H2,1-2H3,(H2,25,26)
InChIKeyJESKDKPOWOYYAE-UHFFFAOYSA-N
MW407.42 g/mol
LogP5.13
Rot. Bonds4

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

4-fluoro-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine (PubChem CID 141490957) has the molecular formula C22H19F2N5O and a molecular weight of 407.42 g/mol. Its IUPAC name is 4-fluoro-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name4-fluoro-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine
PubChem CID141490957
Molecular FormulaC22H19F2N5O
Molecular Weight407.42 g/mol
Exact Mass407.16
IUPAC Name4-fluoro-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine
SMILESCC(C)Cn1c(N)nc2c(F)cc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21
InChIInChI=1S/C22H19F2N5O/c1-12(2)11-29-17-10-14(9-16(24)19(17)26-21(29)25)20-18(13-3-5-15(23)6-4-13)27-22-28(20)7-8-30-22/h3-10,12H,11H2,1-2H3,(H2,25,26)
InChIKeyJESKDKPOWOYYAE-UHFFFAOYSA-N
XLogP5.13
TPSA74.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.42
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine?
The IUPAC name of 4-fluoro-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine (CID 141490957) is 4-fluoro-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 4-fluoro-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine?
The canonical SMILES for 4-fluoro-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine is CC(C)Cn1c(N)nc2c(F)cc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21.
What is the InChIKey of 4-fluoro-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine?
The InChIKey is JESKDKPOWOYYAE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H19F2N5O/c1-12(2)11-29-17-10-14(9-16(24)19(17)26-21(29)25)20-18(13-3-5-15(23)6-4-13)27-22-28(20)7-8-30-22/h3-10,12H,11H2,1-2H3,(H2,25,26).
What are the key properties of 4-fluoro-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine?
4-fluoro-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine has a molecular weight of 407.42 g/mol, XLogP of 5.13, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 141490957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).