2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine

C14H10F3N3 — CID 23085660

IUPAC2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2c1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)9-3-1-2-8(6-9)13-19-11-5-4-10(18)7-12(11)20-13/h1-7H,18H2,(H,19,20)
InChIKeyNACNACDOEUOTOR-UHFFFAOYSA-N
MW277.25 g/mol
LogP3.83
Rot. Bonds1

About 2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine

2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine (PubChem CID 23085660) has the molecular formula C14H10F3N3 and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine.

Molecular Properties

Compound Name2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine
PubChem CID23085660
Molecular FormulaC14H10F3N3
Molecular Weight277.25 g/mol
Exact Mass277.08
IUPAC Name2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine
SMILESNc1ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2c1
InChIInChI=1S/C14H10F3N3/c15-14(16,17)9-3-1-2-8(6-9)13-19-11-5-4-10(18)7-12(11)20-13/h1-7H,18H2,(H,19,20)
InChIKeyNACNACDOEUOTOR-UHFFFAOYSA-N
XLogP3.83
TPSA54.70 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 53.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

Analyze 2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine 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

6-amino-2-[3-(trifluoromethyl)phenyl]-3H-quinazolin-4-one
CID 137104076
5,6-difluoro-2-[3-(trifluoromethyl)phenyl]-1H-benzimidazole
CID 60980278
molecular hydrogen;4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 161338412
2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 14957639
3-[6-[2-(3-aminophenyl)-3H-benzimidazol-5-yl]-1H-benzimidazol-2-yl]aniline
CID 4644404
2-[4-[4-(6-amino-1H-benzimidazol-2-yl)phenyl]phenyl]-3H-benzimidazol-5-amine
CID 3091495
3-(6-amino-1H-benzimidazol-2-yl)benzonitrile
CID 24707129
2-fluoro-5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]aniline
CID 81455212
2-(3,5-dimethylphenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 81455089
4,5-diiodo-2-[3-(trifluoromethyl)phenyl]-1H-imidazole
CID 67133332
6-(trifluoromethyl)-2-[6-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-2-pyridinyl]-1H-benzimidazole
CID 86076167
5-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]pyridin-2-amine
CID 81455369

Frequently Asked Questions

What is the IUPAC name of 2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine?
The IUPAC name of 2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine (CID 23085660) is 2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine.
What is the SMILES notation for 2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine?
The canonical SMILES for 2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine is Nc1ccc2nc(-c3cccc(C(F)(F)F)c3)[nH]c2c1.
What is the InChIKey of 2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine?
The InChIKey is NACNACDOEUOTOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10F3N3/c15-14(16,17)9-3-1-2-8(6-9)13-19-11-5-4-10(18)7-12(11)20-13/h1-7H,18H2,(H,19,20).
What are the key properties of 2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine?
2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine has a molecular weight of 277.25 g/mol, XLogP of 3.83, 1 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(trifluoromethyl)phenyl]-3H-benzimidazol-5-amine is sourced from PubChem (CID 23085660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).