N-[5-bromo-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-chloro-1,3-thiazole-4-carboxamide

C14H6BrClF3N5O2S — CID 136960299

IUPACN-[5-bromo-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-chloro-1,3-thiazole-4-carboxamide
SMILESO=C(NC1(C(F)(F)F)C(=O)Nc2nc3c(Br)cccc3n21)c1csc(Cl)n1
InChIInChI=1S/C14H6BrClF3N5O2S/c15-5-2-1-3-7-8(5)21-12-22-10(26)13(24(7)12,14(17,18)19)23-9(25)6-4-27-11(16)20-6/h1-4H,(H,23,25)(H,21,22,26)
InChIKeyNYYPQDRQPLQHLE-UHFFFAOYSA-N
MW480.65 g/mol
LogP3.51
Rot. Bonds2

About N-[5-bromo-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-chloro-1,3-thiazole-4-carboxamide

N-[5-bromo-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-chloro-1,3-thiazole-4-carboxamide (PubChem CID 136960299) has the molecular formula C14H6BrClF3N5O2S and a molecular weight of 480.65 g/mol. Its IUPAC name is N-[5-bromo-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-chloro-1,3-thiazole-4-carboxamide.

Molecular Properties

Compound NameN-[5-bromo-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-chloro-1,3-thiazole-4-carboxamide
PubChem CID136960299
Molecular FormulaC14H6BrClF3N5O2S
Molecular Weight480.65 g/mol
Exact Mass478.91
IUPAC NameN-[5-bromo-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-chloro-1,3-thiazole-4-carboxamide
SMILESO=C(NC1(C(F)(F)F)C(=O)Nc2nc3c(Br)cccc3n21)c1csc(Cl)n1
InChIInChI=1S/C14H6BrClF3N5O2S/c15-5-2-1-3-7-8(5)21-12-22-10(26)13(24(7)12,14(17,18)19)23-9(25)6-4-27-11(16)20-6/h1-4H,(H,23,25)(H,21,22,26)
InChIKeyNYYPQDRQPLQHLE-UHFFFAOYSA-N
XLogP3.51
TPSA88.91 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.65
LogP ≤ 53.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[5-bromo-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-chloro-1,3-thiazole-4-carboxamide?
The IUPAC name of N-[5-bromo-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-chloro-1,3-thiazole-4-carboxamide (CID 136960299) is N-[5-bromo-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-chloro-1,3-thiazole-4-carboxamide.
What is the SMILES notation for N-[5-bromo-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-chloro-1,3-thiazole-4-carboxamide?
The canonical SMILES for N-[5-bromo-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-chloro-1,3-thiazole-4-carboxamide is O=C(NC1(C(F)(F)F)C(=O)Nc2nc3c(Br)cccc3n21)c1csc(Cl)n1.
What is the InChIKey of N-[5-bromo-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-chloro-1,3-thiazole-4-carboxamide?
The InChIKey is NYYPQDRQPLQHLE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H6BrClF3N5O2S/c15-5-2-1-3-7-8(5)21-12-22-10(26)13(24(7)12,14(17,18)19)23-9(25)6-4-27-11(16)20-6/h1-4H,(H,23,25)(H,21,22,26).
What are the key properties of N-[5-bromo-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-chloro-1,3-thiazole-4-carboxamide?
N-[5-bromo-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-chloro-1,3-thiazole-4-carboxamide has a molecular weight of 480.65 g/mol, XLogP of 3.51, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-bromo-2-oxo-1-(trifluoromethyl)-3H-imidazo[1,2-a]benzimidazol-1-yl]-2-chloro-1,3-thiazole-4-carboxamide is sourced from PubChem (CID 136960299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).