6-bromo-N-(2,5-difluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine

C14H8BrF2N5 — CID 82564203

IUPAC6-bromo-N-(2,5-difluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
SMILESFc1ccc(F)c(Nc2nc3nc4cc(Br)ccc4n3[nH]2)c1
InChIInChI=1S/C14H8BrF2N5/c15-7-1-4-12-11(5-7)19-14-20-13(21-22(12)14)18-10-6-8(16)2-3-9(10)17/h1-6H,(H2,18,19,20,21)
InChIKeyXVSFTDIORXUZJF-UHFFFAOYSA-N
MW364.15 g/mol
LogP3.99
Rot. Bonds2

About 6-bromo-N-(2,5-difluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine

6-bromo-N-(2,5-difluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine (PubChem CID 82564203) has the molecular formula C14H8BrF2N5 and a molecular weight of 364.15 g/mol. Its IUPAC name is 6-bromo-N-(2,5-difluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine.

Molecular Properties

Compound Name6-bromo-N-(2,5-difluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
PubChem CID82564203
Molecular FormulaC14H8BrF2N5
Molecular Weight364.15 g/mol
Exact Mass362.99
IUPAC Name6-bromo-N-(2,5-difluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
SMILESFc1ccc(F)c(Nc2nc3nc4cc(Br)ccc4n3[nH]2)c1
InChIInChI=1S/C14H8BrF2N5/c15-7-1-4-12-11(5-7)19-14-20-13(21-22(12)14)18-10-6-8(16)2-3-9(10)17/h1-6H,(H2,18,19,20,21)
InChIKeyXVSFTDIORXUZJF-UHFFFAOYSA-N
XLogP3.99
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.15
LogP ≤ 53.99
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-bromophenyl)-6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563731
N-(2,3,4-trifluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82564270
N-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563568
N-(2-fluorophenyl)-4,6-dioxa-10,11,13,15-tetrazatetracyclo[7.6.0.03,7.010,14]pentadeca-1,3(7),8,12,14-pentaen-12-amine
CID 82563753
6-chloro-N-[4-(trifluoromethyl)phenyl]-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563719
ethyl 2-[(6-bromo-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]acetate
CID 82564241
6-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563727
N-[2-(4-fluorophenyl)ethyl]-6-methoxy-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563676
ethyl 2-(3-chloro-4-fluoroanilino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564034
2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid
CID 82563979
6-methyl-N-propan-2-yl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563604
6-N-(4-bromo-2-fluorophenyl)-4-N-(2,5-difluorophenyl)pyrimidine-4,5,6-triamine
CID 19152923

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(2,5-difluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The IUPAC name of 6-bromo-N-(2,5-difluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine (CID 82564203) is 6-bromo-N-(2,5-difluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine.
What is the SMILES notation for 6-bromo-N-(2,5-difluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The canonical SMILES for 6-bromo-N-(2,5-difluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine is Fc1ccc(F)c(Nc2nc3nc4cc(Br)ccc4n3[nH]2)c1.
What is the InChIKey of 6-bromo-N-(2,5-difluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The InChIKey is XVSFTDIORXUZJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8BrF2N5/c15-7-1-4-12-11(5-7)19-14-20-13(21-22(12)14)18-10-6-8(16)2-3-9(10)17/h1-6H,(H2,18,19,20,21).
What are the key properties of 6-bromo-N-(2,5-difluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
6-bromo-N-(2,5-difluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine has a molecular weight of 364.15 g/mol, XLogP of 3.99, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(2,5-difluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine is sourced from PubChem (CID 82564203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).