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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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).