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

C30H23F3N4O2 — CID 44530862

IUPAC3-[acetyl(methyl)amino]-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]benzamide
SMILESCC(=O)N(C)c1cccc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)c2)c1
InChIInChI=1S/C30H23F3N4O2/c1-18(38)37(2)25-11-5-9-22(16-25)29(39)34-24-10-4-7-20(15-24)19-6-3-8-21(14-19)28-35-26-13-12-23(30(31,32)33)17-27(26)36-28/h3-17H,1-2H3,(H,34,39)(H,35,36)
InChIKeyGIVVEZNNGRCQTH-UHFFFAOYSA-N
MW528.53 g/mol
LogP7.15
Rot. Bonds5

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

3-[acetyl(methyl)amino]-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]benzamide (PubChem CID 44530862) has the molecular formula C30H23F3N4O2 and a molecular weight of 528.53 g/mol. Its IUPAC name is 3-[acetyl(methyl)amino]-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]benzamide.

Molecular Properties

Compound Name3-[acetyl(methyl)amino]-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]benzamide
PubChem CID44530862
Molecular FormulaC30H23F3N4O2
Molecular Weight528.53 g/mol
Exact Mass528.18
IUPAC Name3-[acetyl(methyl)amino]-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]benzamide
SMILESCC(=O)N(C)c1cccc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)c2)c1
InChIInChI=1S/C30H23F3N4O2/c1-18(38)37(2)25-11-5-9-22(16-25)29(39)34-24-10-4-7-20(15-24)19-6-3-8-21(14-19)28-35-26-13-12-23(30(31,32)33)17-27(26)36-28/h3-17H,1-2H3,(H,34,39)(H,35,36)
InChIKeyGIVVEZNNGRCQTH-UHFFFAOYSA-N
XLogP7.15
TPSA78.09 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500528.53
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 3-[acetyl(methyl)amino]-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]benzamide?
The IUPAC name of 3-[acetyl(methyl)amino]-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]benzamide (CID 44530862) is 3-[acetyl(methyl)amino]-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]benzamide.
What is the SMILES notation for 3-[acetyl(methyl)amino]-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]benzamide?
The canonical SMILES for 3-[acetyl(methyl)amino]-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]benzamide is CC(=O)N(C)c1cccc(C(=O)Nc2cccc(-c3cccc(-c4nc5ccc(C(F)(F)F)cc5[nH]4)c3)c2)c1.
What is the InChIKey of 3-[acetyl(methyl)amino]-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]benzamide?
The InChIKey is GIVVEZNNGRCQTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H23F3N4O2/c1-18(38)37(2)25-11-5-9-22(16-25)29(39)34-24-10-4-7-20(15-24)19-6-3-8-21(14-19)28-35-26-13-12-23(30(31,32)33)17-27(26)36-28/h3-17H,1-2H3,(H,34,39)(H,35,36).
What are the key properties of 3-[acetyl(methyl)amino]-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]benzamide?
3-[acetyl(methyl)amino]-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]benzamide has a molecular weight of 528.53 g/mol, XLogP of 7.15, 5 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[acetyl(methyl)amino]-N-[3-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]benzamide is sourced from PubChem (CID 44530862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).