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

C29H21F3N4O3 — CID 44530597

IUPAC4-hydroxy-N-[2-oxo-2-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(O)cc1)Nc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1
InChIInChI=1S/C29H21F3N4O3/c30-29(31,32)21-8-13-24-25(15-21)36-27(35-24)20-3-1-2-19(14-20)17-4-9-22(10-5-17)34-26(38)16-33-28(39)18-6-11-23(37)12-7-18/h1-15,37H,16H2,(H,33,39)(H,34,38)(H,35,36)
InChIKeyDVTWENZRONOMLW-UHFFFAOYSA-N
MW530.51 g/mol
LogP5.99
Rot. Bonds6

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

4-hydroxy-N-[2-oxo-2-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide (PubChem CID 44530597) has the molecular formula C29H21F3N4O3 and a molecular weight of 530.51 g/mol. Its IUPAC name is 4-hydroxy-N-[2-oxo-2-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide.

Molecular Properties

Compound Name4-hydroxy-N-[2-oxo-2-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide
PubChem CID44530597
Molecular FormulaC29H21F3N4O3
Molecular Weight530.51 g/mol
Exact Mass530.16
IUPAC Name4-hydroxy-N-[2-oxo-2-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide
SMILESO=C(CNC(=O)c1ccc(O)cc1)Nc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1
InChIInChI=1S/C29H21F3N4O3/c30-29(31,32)21-8-13-24-25(15-21)36-27(35-24)20-3-1-2-19(14-20)17-4-9-22(10-5-17)34-26(38)16-33-28(39)18-6-11-23(37)12-7-18/h1-15,37H,16H2,(H,33,39)(H,34,38)(H,35,36)
InChIKeyDVTWENZRONOMLW-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

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Related Compounds

N-(2-hydroxyethyl)-4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731266
2-(2,4-dimethyl-1,3-thiazol-5-yl)-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide
CID 44530781
N-hydroxy-2-[4-[4-(trifluoromethyl)phenyl]phenyl]-3H-benzimidazole-5-carboxamide
CID 122690134
3-pyridin-3-yl-N-[3-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]propanamide
CID 44523593
4-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]benzamide
CID 71731138
N-[2-(4-fluoroanilino)-2-oxoethyl]-3-(trifluoromethyl)benzamide
CID 42765964
N-[3-(1H-benzimidazol-2-yl)phenyl]-3-(trifluoromethyl)benzamide
CID 4124334
N-propan-2-yl-4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]benzamide
CID 4915116
2-[4-(trifluoromethyl)phenyl]-3H-benzimidazole-5-carboxylic acid
CID 22097796
methyl 3-[[[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]methylamino]methyl]benzoate;2,2,2-trifluoroacetic acid
CID 44524946
2-cyano-N-[2-(4-hydroxyphenyl)-3H-benzimidazol-5-yl]acetamide
CID 168522350
2-(3-fluorophenyl)-6-(trifluoromethyl)-1H-benzimidazole
CID 14957639

Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-N-[2-oxo-2-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide?
The IUPAC name of 4-hydroxy-N-[2-oxo-2-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide (CID 44530597) is 4-hydroxy-N-[2-oxo-2-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide.
What is the SMILES notation for 4-hydroxy-N-[2-oxo-2-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide?
The canonical SMILES for 4-hydroxy-N-[2-oxo-2-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide is O=C(CNC(=O)c1ccc(O)cc1)Nc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1.
What is the InChIKey of 4-hydroxy-N-[2-oxo-2-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide?
The InChIKey is DVTWENZRONOMLW-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21F3N4O3/c30-29(31,32)21-8-13-24-25(15-21)36-27(35-24)20-3-1-2-19(14-20)17-4-9-22(10-5-17)34-26(38)16-33-28(39)18-6-11-23(37)12-7-18/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-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide?
4-hydroxy-N-[2-oxo-2-[4-[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-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]anilino]ethyl]benzamide is sourced from PubChem (CID 44530597), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).