2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline

C14H9F4N3 — CID 81455212

IUPAC2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
SMILESNc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1F
InChIInChI=1S/C14H9F4N3/c15-9-3-1-7(5-10(9)19)13-20-11-4-2-8(14(16,17)18)6-12(11)21-13/h1-6H,19H2,(H,20,21)
InChIKeyYDTSOLAKYAPQHL-UHFFFAOYSA-N
MW295.24 g/mol
LogP3.97
Rot. Bonds1

About 2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline

2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline (PubChem CID 81455212) has the molecular formula C14H9F4N3 and a molecular weight of 295.24 g/mol. Its IUPAC name is 2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline.

Molecular Properties

Compound Name2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
PubChem CID81455212
Molecular FormulaC14H9F4N3
Molecular Weight295.24 g/mol
Exact Mass295.07
IUPAC Name2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
SMILESNc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1F
InChIInChI=1S/C14H9F4N3/c15-9-3-1-7(5-10(9)19)13-20-11-4-2-8(14(16,17)18)6-12(11)21-13/h1-6H,19H2,(H,20,21)
InChIKeyYDTSOLAKYAPQHL-UHFFFAOYSA-N
XLogP3.97
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500295.24
LogP ≤ 53.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

molecular hydrogen;4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 161338412
2-(3-amino-4-fluorophenyl)-3H-benzimidazol-5-ol
CID 81432663
5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine
CID 81455369
2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 14957639
2-(3,4-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455549
2-(3,5-dichlorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455237
2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455089
4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzonitrile
CID 112730245
2-(3-chloro-4-iodophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 103222495
2-(5-fluoro-3-pyridinyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 104786107
2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine
CID 23085660
N'-hydroxy-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzenecarboximidamide
CID 137187151

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline?
The IUPAC name of 2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline (CID 81455212) is 2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline.
What is the SMILES notation for 2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline?
The canonical SMILES for 2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline is Nc1cc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)ccc1F.
What is the InChIKey of 2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline?
The InChIKey is YDTSOLAKYAPQHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9F4N3/c15-9-3-1-7(5-10(9)19)13-20-11-4-2-8(14(16,17)18)6-12(11)21-13/h1-6H,19H2,(H,20,21).
What are the key properties of 2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline?
2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline has a molecular weight of 295.24 g/mol, XLogP of 3.97, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline is sourced from PubChem (CID 81455212), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).