N-(2,3,4-trifluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine

C14H8F3N5 — CID 82564270

IUPACN-(2,3,4-trifluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
SMILESFc1ccc(Nc2nc3nc4ccccc4n3[nH]2)c(F)c1F
InChIInChI=1S/C14H8F3N5/c15-7-5-6-9(12(17)11(7)16)18-13-20-14-19-8-3-1-2-4-10(8)22(14)21-13/h1-6H,(H2,18,19,20,21)
InChIKeyZRPRSMFSDAKPCK-UHFFFAOYSA-N
MW303.25 g/mol
LogP3.37
Rot. Bonds2

About N-(2,3,4-trifluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine

N-(2,3,4-trifluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine (PubChem CID 82564270) has the molecular formula C14H8F3N5 and a molecular weight of 303.25 g/mol. Its IUPAC name is N-(2,3,4-trifluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine.

Molecular Properties

Compound NameN-(2,3,4-trifluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
PubChem CID82564270
Molecular FormulaC14H8F3N5
Molecular Weight303.25 g/mol
Exact Mass303.07
IUPAC NameN-(2,3,4-trifluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
SMILESFc1ccc(Nc2nc3nc4ccccc4n3[nH]2)c(F)c1F
InChIInChI=1S/C14H8F3N5/c15-7-5-6-9(12(17)11(7)16)18-13-20-14-19-8-3-1-2-4-10(8)22(14)21-13/h1-6H,(H2,18,19,20,21)
InChIKeyZRPRSMFSDAKPCK-UHFFFAOYSA-N
XLogP3.37
TPSA58.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.25
LogP ≤ 53.37
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_2', 'substructure': 'N/A'}

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Related Compounds

N-(2-fluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82564248
N-(3,4-dichlorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82564280
6-bromo-N-(2,5-difluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82564203
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
N-(2,3,4-trifluorophenyl)quinolin-2-amine
CID 2320272
6-chloro-N-[4-(trifluoromethyl)phenyl]-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563719
N-(3-bromophenyl)-6-chloro-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563731
ethyl 2-(3-chloro-4-fluoroanilino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564034
6-chloro-N-(2-methyl-2-phenylpropyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563750
2-(4-methoxyphenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazole
CID 14174658
6-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563727
2,3,4-trifluoro-N-(quinolin-2-ylmethyl)aniline
CID 28774815

Frequently Asked Questions

What is the IUPAC name of N-(2,3,4-trifluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The IUPAC name of N-(2,3,4-trifluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine (CID 82564270) is N-(2,3,4-trifluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine.
What is the SMILES notation for N-(2,3,4-trifluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The canonical SMILES for N-(2,3,4-trifluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine is Fc1ccc(Nc2nc3nc4ccccc4n3[nH]2)c(F)c1F.
What is the InChIKey of N-(2,3,4-trifluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
The InChIKey is ZRPRSMFSDAKPCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H8F3N5/c15-7-5-6-9(12(17)11(7)16)18-13-20-14-19-8-3-1-2-4-10(8)22(14)21-13/h1-6H,(H2,18,19,20,21).
What are the key properties of N-(2,3,4-trifluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine?
N-(2,3,4-trifluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine has a molecular weight of 303.25 g/mol, XLogP of 3.37, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2,3,4-trifluorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine is sourced from PubChem (CID 82564270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).