2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid

C16H10F3N5O2 — CID 82563979

IUPAC2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc1nc(Nc3ccc(C(F)(F)F)cc3)[nH]n12
InChIInChI=1S/C16H10F3N5O2/c17-16(18,19)9-2-4-10(5-3-9)20-14-22-15-21-11-7-8(13(25)26)1-6-12(11)24(15)23-14/h1-7H,(H,25,26)(H2,20,21,22,23)
InChIKeyOKYXDRSQCRHPFP-UHFFFAOYSA-N
MW361.28 g/mol
LogP3.67
Rot. Bonds3

About 2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid

2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid (PubChem CID 82563979) has the molecular formula C16H10F3N5O2 and a molecular weight of 361.28 g/mol. Its IUPAC name is 2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid.

Molecular Properties

Compound Name2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid
PubChem CID82563979
Molecular FormulaC16H10F3N5O2
Molecular Weight361.28 g/mol
Exact Mass361.08
IUPAC Name2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid
SMILESO=C(O)c1ccc2c(c1)nc1nc(Nc3ccc(C(F)(F)F)cc3)[nH]n12
InChIInChI=1S/C16H10F3N5O2/c17-16(18,19)9-2-4-10(5-3-9)20-14-22-15-21-11-7-8(13(25)26)1-6-12(11)24(15)23-14/h1-7H,(H,25,26)(H2,20,21,22,23)
InChIKeyOKYXDRSQCRHPFP-UHFFFAOYSA-N
XLogP3.67
TPSA95.31 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.28
LogP ≤ 53.67
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Analyze 2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid 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-chloro-N-[4-(trifluoromethyl)phenyl]-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563719
2-(4-nitroanilino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid
CID 82563964
2-[(4-fluorophenyl)methylamino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid
CID 82563998
ethyl 2-(3-chloro-4-fluoroanilino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564034
N-[4-[(6-cyano-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl)amino]phenyl]acetamide
CID 82564153
N-(3,4-difluorophenyl)-6-methyl-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563568
6-chloro-N-[4-[(2-methylpropan-2-yl)oxy]phenyl]-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82563727
N-[4-[[6-(1,3-thiazol-2-yl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-yl]amino]phenyl]acetamide
CID 82564102
ethyl 2-(propan-2-ylamino)-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylate
CID 82564056
N-(3,4-dichlorophenyl)-1H-[1,2,4]triazolo[1,5-a]benzimidazol-2-amine
CID 82564280
3-[[2-methyl-6-[4-(trifluoromethyl)anilino]pyrimidin-4-yl]amino]benzoic acid
CID 113193482
2-[3-(trifluoromethyl)phenyl]-1-[[4-(trifluoromethyl)phenyl]methyl]benzimidazole-5-carboxylic acid
CID 15503234

Frequently Asked Questions

What is the IUPAC name of 2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid?
The IUPAC name of 2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid (CID 82563979) is 2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid.
What is the SMILES notation for 2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid?
The canonical SMILES for 2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid is O=C(O)c1ccc2c(c1)nc1nc(Nc3ccc(C(F)(F)F)cc3)[nH]n12.
What is the InChIKey of 2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid?
The InChIKey is OKYXDRSQCRHPFP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H10F3N5O2/c17-16(18,19)9-2-4-10(5-3-9)20-14-22-15-21-11-7-8(13(25)26)1-6-12(11)24(15)23-14/h1-7H,(H,25,26)(H2,20,21,22,23).
What are the key properties of 2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid?
2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid has a molecular weight of 361.28 g/mol, XLogP of 3.67, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(trifluoromethyl)anilino]-1H-[1,2,4]triazolo[1,5-a]benzimidazole-6-carboxylic acid is sourced from PubChem (CID 82563979), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).