4-bromo-N-[4-([1,2]thiazolo[4,5-c]pyridin-4-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine

C20H11BrF3N5OS — CID 11706111

IUPAC4-bromo-N-[4-([1,2]thiazolo[4,5-c]pyridin-4-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cc(Br)c2nc(Nc3ccc(Oc4nccc5sncc45)cc3)[nH]c2c1
InChIInChI=1S/C20H11BrF3N5OS/c21-14-7-10(20(22,23)24)8-15-17(14)29-19(28-15)27-11-1-3-12(4-2-11)30-18-13-9-26-31-16(13)5-6-25-18/h1-9H,(H2,27,28,29)
InChIKeyNVAQILGRWGKLKT-UHFFFAOYSA-N
MW506.31 g/mol
LogP6.88
Rot. Bonds4

About 4-bromo-N-[4-([1,2]thiazolo[4,5-c]pyridin-4-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine

4-bromo-N-[4-([1,2]thiazolo[4,5-c]pyridin-4-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine (PubChem CID 11706111) has the molecular formula C20H11BrF3N5OS and a molecular weight of 506.31 g/mol. Its IUPAC name is 4-bromo-N-[4-([1,2]thiazolo[4,5-c]pyridin-4-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine.

Molecular Properties

Compound Name4-bromo-N-[4-([1,2]thiazolo[4,5-c]pyridin-4-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
PubChem CID11706111
Molecular FormulaC20H11BrF3N5OS
Molecular Weight506.31 g/mol
Exact Mass504.98
IUPAC Name4-bromo-N-[4-([1,2]thiazolo[4,5-c]pyridin-4-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine
SMILESFC(F)(F)c1cc(Br)c2nc(Nc3ccc(Oc4nccc5sncc45)cc3)[nH]c2c1
InChIInChI=1S/C20H11BrF3N5OS/c21-14-7-10(20(22,23)24)8-15-17(14)29-19(28-15)27-11-1-3-12(4-2-11)30-18-13-9-26-31-16(13)5-6-25-18/h1-9H,(H2,27,28,29)
InChIKeyNVAQILGRWGKLKT-UHFFFAOYSA-N
XLogP6.88
TPSA75.72 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.31
LogP ≤ 56.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-bromo-N-[4-([1,2]thiazolo[4,5-c]pyridin-4-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The IUPAC name of 4-bromo-N-[4-([1,2]thiazolo[4,5-c]pyridin-4-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine (CID 11706111) is 4-bromo-N-[4-([1,2]thiazolo[4,5-c]pyridin-4-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine.
What is the SMILES notation for 4-bromo-N-[4-([1,2]thiazolo[4,5-c]pyridin-4-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The canonical SMILES for 4-bromo-N-[4-([1,2]thiazolo[4,5-c]pyridin-4-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine is FC(F)(F)c1cc(Br)c2nc(Nc3ccc(Oc4nccc5sncc45)cc3)[nH]c2c1.
What is the InChIKey of 4-bromo-N-[4-([1,2]thiazolo[4,5-c]pyridin-4-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
The InChIKey is NVAQILGRWGKLKT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H11BrF3N5OS/c21-14-7-10(20(22,23)24)8-15-17(14)29-19(28-15)27-11-1-3-12(4-2-11)30-18-13-9-26-31-16(13)5-6-25-18/h1-9H,(H2,27,28,29).
What are the key properties of 4-bromo-N-[4-([1,2]thiazolo[4,5-c]pyridin-4-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine?
4-bromo-N-[4-([1,2]thiazolo[4,5-c]pyridin-4-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine has a molecular weight of 506.31 g/mol, XLogP of 6.88, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-bromo-N-[4-([1,2]thiazolo[4,5-c]pyridin-4-yloxy)phenyl]-6-(trifluoromethyl)-1H-benzimidazol-2-amine is sourced from PubChem (CID 11706111), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).