2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]benzamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanesulfonamide

C70H49F12N9O4S — CID 160687856

IUPAC2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]benzamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanesulfonamide
SMILESCC(=O)Nc1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1F.CS(=O)(=O)Nc1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1F.NC(=O)c1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1F
InChIInChI=1S/C24H17F4N3O.C23H17F4N3O2S.C23H15F4N3O/c1-14(32)29-20-5-3-2-4-17(20)18-12-21-22(13-19(18)25)31-23(30-21)11-8-15-6-9-16(10-7-15)24(26,27)28;1-33(31,32)30-19-5-3-2-4-16(19)17-12-20-21(13-18(17)24)29-22(28-20)11-8-14-6-9-15(10-7-14)23(25,26)27;24-18-12-20-19(11-17(18)15-3-1-2-4-16(15)22(28)31)29-21(30-20)10-7-13-5-8-14(9-6-13)23(25,26)27/h2-13H,1H3,(H,29,32)(H,30,31);2-13,30H,1H3,(H,28,29);1-12H,(H2,28,31)(H,29,30)/b2*11-8+;10-7+
InChIKeyROZVIPBAVVHAIP-IECPUGLCSA-N
MW1340.26 g/mol
LogP18.10
Rot. Bonds13

About 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]benzamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanesulfonamide

2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]benzamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanesulfonamide (PubChem CID 160687856) has the molecular formula C70H49F12N9O4S and a molecular weight of 1340.26 g/mol. Its IUPAC name is 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]benzamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanesulfonamide.

Molecular Properties

Compound Name2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]benzamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanesulfonamide
PubChem CID160687856
Molecular FormulaC70H49F12N9O4S
Molecular Weight1340.26 g/mol
Exact Mass1339.34
IUPAC Name2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]benzamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanesulfonamide
SMILESCC(=O)Nc1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1F.CS(=O)(=O)Nc1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1F.NC(=O)c1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1F
InChIInChI=1S/C24H17F4N3O.C23H17F4N3O2S.C23H15F4N3O/c1-14(32)29-20-5-3-2-4-17(20)18-12-21-22(13-19(18)25)31-23(30-21)11-8-15-6-9-16(10-7-15)24(26,27)28;1-33(31,32)30-19-5-3-2-4-16(19)17-12-20-21(13-18(17)24)29-22(28-20)11-8-14-6-9-15(10-7-14)23(25,26)27;24-18-12-20-19(11-17(18)15-3-1-2-4-16(15)22(28)31)29-21(30-20)10-7-13-5-8-14(9-6-13)23(25,26)27/h2-13H,1H3,(H,29,32)(H,30,31);2-13,30H,1H3,(H,28,29);1-12H,(H2,28,31)(H,29,30)/b2*11-8+;10-7+
InChIKeyROZVIPBAVVHAIP-IECPUGLCSA-N
XLogP18.10
TPSA204.40 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001340.26
LogP ≤ 518.10
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]benzamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanesulfonamide 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 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]benzamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The IUPAC name of 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]benzamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanesulfonamide (CID 160687856) is 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]benzamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanesulfonamide.
What is the SMILES notation for 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]benzamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The canonical SMILES for 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]benzamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanesulfonamide is CC(=O)Nc1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1F.CS(=O)(=O)Nc1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1F.NC(=O)c1ccccc1-c1cc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2cc1F.
What is the InChIKey of 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]benzamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanesulfonamide?
The InChIKey is ROZVIPBAVVHAIP-IECPUGLCSA-N. The full InChI is InChI=1S/C24H17F4N3O.C23H17F4N3O2S.C23H15F4N3O/c1-14(32)29-20-5-3-2-4-17(20)18-12-21-22(13-19(18)25)31-23(30-21)11-8-15-6-9-16(10-7-15)24(26,27)28;1-33(31,32)30-19-5-3-2-4-16(19)17-12-20-21(13-18(17)24)29-22(28-20)11-8-14-6-9-15(10-7-14)23(25,26)27;24-18-12-20-19(11-17(18)15-3-1-2-4-16(15)22(28)31)29-21(30-20)10-7-13-5-8-14(9-6-13)23(25,26)27/h2-13H,1H3,(H,29,32)(H,30,31);2-13,30H,1H3,(H,28,29);1-12H,(H2,28,31)(H,29,30)/b2*11-8+;10-7+.
What are the key properties of 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]benzamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanesulfonamide?
2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]benzamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanesulfonamide has a molecular weight of 1340.26 g/mol, XLogP of 18.10, 13 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]benzamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]acetamide;N-[2-[6-fluoro-2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-1H-benzimidazol-5-yl]phenyl]methanesulfonamide is sourced from PubChem (CID 160687856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).