3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide

C21H15F3N4O — CID 175734132

IUPAC3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
SMILESNC(=O)c1cccc(Nc2nc3cc(-c4ccccc4)c(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C21H15F3N4O/c22-21(23,24)16-11-18-17(10-15(16)12-5-2-1-3-6-12)27-20(28-18)26-14-8-4-7-13(9-14)19(25)29/h1-11H,(H2,25,29)(H2,26,27,28)
InChIKeyOXQJTDSZFJZFMA-UHFFFAOYSA-N
MW396.37 g/mol
LogP5.09
Rot. Bonds4

About 3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide

3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide (PubChem CID 175734132) has the molecular formula C21H15F3N4O and a molecular weight of 396.37 g/mol. Its IUPAC name is 3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide.

Molecular Properties

Compound Name3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
PubChem CID175734132
Molecular FormulaC21H15F3N4O
Molecular Weight396.37 g/mol
Exact Mass396.12
IUPAC Name3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
SMILESNC(=O)c1cccc(Nc2nc3cc(-c4ccccc4)c(C(F)(F)F)cc3[nH]2)c1
InChIInChI=1S/C21H15F3N4O/c22-21(23,24)16-11-18-17(10-15(16)12-5-2-1-3-6-12)27-20(28-18)26-14-8-4-7-13(9-14)19(25)29/h1-11H,(H2,25,29)(H2,26,27,28)
InChIKeyOXQJTDSZFJZFMA-UHFFFAOYSA-N
XLogP5.09
TPSA83.80 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.37
LogP ≤ 55.09
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Related Compounds

N-hydroxy-3-[[5-pyridin-4-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide
CID 134459699
methyl 3-[[5-pyridin-3-yl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzoate
CID 134459655
3-[[5-bromo-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 134459673
3-[(4-oxo-3H-quinazolin-2-yl)amino]benzamide
CID 175916852
3-[[6-ethynyl-5-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]-N-hydroxybenzamide
CID 166595572
1-hydroxy-2-[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1,3-dihydroisoindole-4-carboxamide
CID 175909135
2-(3-methylsulfonylanilino)-3H-benzimidazole-5-carboxylic acid
CID 82563075
2-(4-ethylanilino)-3H-benzimidazole-5-carboxamide
CID 101429158
4-amino-8-(2-anilino-3H-benzimidazol-5-yl)cinnoline-3-carboxamide
CID 71765222
3-[(6-ethoxy-1H-benzimidazol-2-yl)amino]benzoic acid
CID 50878352
N-[3-(1H-benzimidazol-2-ylamino)phenyl]-4-phenylbenzamide
CID 156631123
[2-[3-[[5-cyano-6-(trifluoromethyl)-1H-benzimidazol-2-yl]-methylamino]phenyl]-2-oxoethyl] N-benzylcarbamate;3-[[5-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(trifluoromethyl)-3H-indol-2-yl]amino]-N-hydroxybenzamide;[2-oxo-2-[3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]phenyl]ethyl] N-benzylcarbamate
CID 160938704

Frequently Asked Questions

What is the IUPAC name of 3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide?
The IUPAC name of 3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide (CID 175734132) is 3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide.
What is the SMILES notation for 3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide?
The canonical SMILES for 3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide is NC(=O)c1cccc(Nc2nc3cc(-c4ccccc4)c(C(F)(F)F)cc3[nH]2)c1.
What is the InChIKey of 3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide?
The InChIKey is OXQJTDSZFJZFMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O/c22-21(23,24)16-11-18-17(10-15(16)12-5-2-1-3-6-12)27-20(28-18)26-14-8-4-7-13(9-14)19(25)29/h1-11H,(H2,25,29)(H2,26,27,28).
What are the key properties of 3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide?
3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide has a molecular weight of 396.37 g/mol, XLogP of 5.09, 4 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[5-phenyl-6-(trifluoromethyl)-1H-benzimidazol-2-yl]amino]benzamide is sourced from PubChem (CID 175734132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).