4-hydroxy-N-[2-oxo-2-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide

C29H21F3N4O3 — CID 44530596

IUPAC4-hydroxy-N-[2-oxo-2-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(O)cc1)Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1
InChIInChI=1S/C29H21F3N4O3/c30-29(31,32)21-9-12-24-25(15-21)36-27(35-24)20-5-1-3-18(13-20)19-4-2-6-22(14-19)34-26(38)16-33-28(39)17-7-10-23(37)11-8-17/h1-15,37H,16H2,(H,33,39)(H,34,38)(H,35,36)
InChIKeyUTFHEEGUJDZKBH-UHFFFAOYSA-N
MW530.51 g/mol
LogP5.99
Rot. Bonds6

About 4-hydroxy-N-[2-oxo-2-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide

4-hydroxy-N-[2-oxo-2-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide (PubChem CID 44530596) has the molecular formula C29H21F3N4O3 and a molecular weight of 530.51 g/mol. Its IUPAC name is 4-hydroxy-N-[2-oxo-2-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-oxo-2-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide
PubChem CID44530596
Molecular FormulaC29H21F3N4O3
Molecular Weight530.51 g/mol
Exact Mass530.16
IUPAC Name4-hydroxy-N-[2-oxo-2-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(O)cc1)Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1
InChIInChI=1S/C29H21F3N4O3/c30-29(31,32)21-9-12-24-25(15-21)36-27(35-24)20-5-1-3-18(13-20)19-4-2-6-22(14-19)34-26(38)16-33-28(39)17-7-10-23(37)11-8-17/h1-15,37H,16H2,(H,33,39)(H,34,38)(H,35,36)
InChIKeyUTFHEEGUJDZKBH-UHFFFAOYSA-N
XLogP5.99
TPSA107.11 Ų
H-Bond Donors4
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500530.51
LogP ≤ 55.99
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 104

Analyze 4-hydroxy-N-[2-oxo-2-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-oxo-2-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide?
The IUPAC name of 4-hydroxy-N-[2-oxo-2-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide (CID 44530596) is 4-hydroxy-N-[2-oxo-2-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[2-oxo-2-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide?
The canonical SMILES for 4-hydroxy-N-[2-oxo-2-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide is O=C(CNC(=O)c1ccc(O)cc1)Nc1cccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)c1.
What is the InChIKey of 4-hydroxy-N-[2-oxo-2-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide?
The InChIKey is UTFHEEGUJDZKBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N4O3/c30-29(31,32)21-9-12-24-25(15-21)36-27(35-24)20-5-1-3-18(13-20)19-4-2-6-22(14-19)34-26(38)16-33-28(39)17-7-10-23(37)11-8-17/h1-15,37H,16H2,(H,33,39)(H,34,38)(H,35,36).
What are the key properties of 4-hydroxy-N-[2-oxo-2-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide?
4-hydroxy-N-[2-oxo-2-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide has a molecular weight of 530.51 g/mol, XLogP of 5.99, 6 rotatable bonds, 4 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-N-[2-oxo-2-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide is sourced from PubChem (CID 44530596), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).