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

C22H20FN5S — CID 24952854

IUPAC6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine
SMILESCC(C)Cn1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21
InChIInChI=1S/C22H20FN5S/c1-13(2)12-28-18-11-15(5-8-17(18)25-21(28)24)20-19(14-3-6-16(23)7-4-14)26-22-27(20)9-10-29-22/h3-11,13H,12H2,1-2H3,(H2,24,25)
InChIKeyVLEFVPMCVJDTHZ-UHFFFAOYSA-N
MW405.50 g/mol
LogP5.46
Rot. Bonds4

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

6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine (PubChem CID 24952854) has the molecular formula C22H20FN5S and a molecular weight of 405.50 g/mol. Its IUPAC name is 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine
PubChem CID24952854
Molecular FormulaC22H20FN5S
Molecular Weight405.50 g/mol
Exact Mass405.14
IUPAC Name6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine
SMILESCC(C)Cn1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21
InChIInChI=1S/C22H20FN5S/c1-13(2)12-28-18-11-15(5-8-17(18)25-21(28)24)20-19(14-3-6-16(23)7-4-14)26-22-27(20)9-10-29-22/h3-11,13H,12H2,1-2H3,(H2,24,25)
InChIKeyVLEFVPMCVJDTHZ-UHFFFAOYSA-N
XLogP5.46
TPSA61.14 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500405.50
LogP ≤ 55.46
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]thiazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine?
The IUPAC name of 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine (CID 24952854) is 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine?
The canonical SMILES for 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine is CC(C)Cn1c(N)nc2ccc(-c3c(-c4ccc(F)cc4)nc4sccn34)cc21.
What is the InChIKey of 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine?
The InChIKey is VLEFVPMCVJDTHZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20FN5S/c1-13(2)12-28-18-11-15(5-8-17(18)25-21(28)24)20-19(14-3-6-16(23)7-4-14)26-22-27(20)9-10-29-22/h3-11,13H,12H2,1-2H3,(H2,24,25).
What are the key properties of 6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine?
6-[6-(4-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine has a molecular weight of 405.50 g/mol, XLogP of 5.46, 4 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]thiazol-5-yl]-1-(2-methylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 24952854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).