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

C23H22FN5O — CID 59457834

IUPAC1-(2,2-dimethylpropyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine
SMILESCC(C)(C)Cn1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21
InChIInChI=1S/C23H22FN5O/c1-23(2,3)13-29-18-12-15(6-9-17(18)26-21(29)25)20-19(14-4-7-16(24)8-5-14)27-22-28(20)10-11-30-22/h4-12H,13H2,1-3H3,(H2,25,26)
InChIKeyNPGXOIIYKJOULT-UHFFFAOYSA-N
MW403.46 g/mol
LogP5.38
Rot. Bonds3

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

1-(2,2-dimethylpropyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine (PubChem CID 59457834) has the molecular formula C23H22FN5O and a molecular weight of 403.46 g/mol. Its IUPAC name is 1-(2,2-dimethylpropyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine.

Molecular Properties

Compound Name1-(2,2-dimethylpropyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine
PubChem CID59457834
Molecular FormulaC23H22FN5O
Molecular Weight403.46 g/mol
Exact Mass403.18
IUPAC Name1-(2,2-dimethylpropyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine
SMILESCC(C)(C)Cn1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21
InChIInChI=1S/C23H22FN5O/c1-23(2,3)13-29-18-12-15(6-9-17(18)26-21(29)25)20-19(14-4-7-16(24)8-5-14)27-22-28(20)10-11-30-22/h4-12H,13H2,1-3H3,(H2,25,26)
InChIKeyNPGXOIIYKJOULT-UHFFFAOYSA-N
XLogP5.38
TPSA74.28 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500403.46
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-(2,2-dimethylpropyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine?
The IUPAC name of 1-(2,2-dimethylpropyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine (CID 59457834) is 1-(2,2-dimethylpropyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine.
What is the SMILES notation for 1-(2,2-dimethylpropyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine?
The canonical SMILES for 1-(2,2-dimethylpropyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine is CC(C)(C)Cn1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4occn34)cc21.
What is the InChIKey of 1-(2,2-dimethylpropyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine?
The InChIKey is NPGXOIIYKJOULT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H22FN5O/c1-23(2,3)13-29-18-12-15(6-9-17(18)26-21(29)25)20-19(14-4-7-16(24)8-5-14)27-22-28(20)10-11-30-22/h4-12H,13H2,1-3H3,(H2,25,26).
What are the key properties of 1-(2,2-dimethylpropyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine?
1-(2,2-dimethylpropyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine has a molecular weight of 403.46 g/mol, XLogP of 5.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,2-dimethylpropyl)-6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]oxazol-5-yl]benzimidazol-2-amine is sourced from PubChem (CID 59457834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).