2-[2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol

C73H63F6N7O4S — CID 157075265

IUPAC2-[2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-c1ccc2nc(/C=C/c3ccccc3)[nH]c2c1.CC(C)(O)c1ccccc1-c1ccc2nc(/C=C\c3ccc(C(F)(F)F)cc3)[nH]c2c1.CS(=O)(=O)Nc1ccccc1-c1ccc2nc(C3CC3c3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C25H21F3N2O.C24H20F3N3O2S.C24H22N2O/c1-24(2,31)20-6-4-3-5-19(20)17-10-13-21-22(15-17)30-23(29-21)14-9-16-7-11-18(12-8-16)25(26,27)28;1-33(31,32)30-20-5-3-2-4-17(20)15-8-11-21-22(12-15)29-23(28-21)19-13-18(19)14-6-9-16(10-7-14)24(25,26)27;1-24(2,27)20-11-7-6-10-19(20)18-13-14-21-22(16-18)26-23(25-21)15-12-17-8-4-3-5-9-17/h3-15,31H,1-2H3,(H,29,30);2-12,18-19,30H,13H2,1H3,(H,28,29);3-16,27H,1-2H3,(H,25,26)/b14-9-;;15-12+
InChIKeyACXADXVUVURZMY-CQUCYMEISA-N
MW1248.41 g/mol
LogP18.17
Rot. Bonds13

About 2-[2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol

2-[2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol (PubChem CID 157075265) has the molecular formula C73H63F6N7O4S and a molecular weight of 1248.41 g/mol. Its IUPAC name is 2-[2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
PubChem CID157075265
Molecular FormulaC73H63F6N7O4S
Molecular Weight1248.41 g/mol
Exact Mass1247.46
IUPAC Name2-[2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-c1ccc2nc(/C=C/c3ccccc3)[nH]c2c1.CC(C)(O)c1ccccc1-c1ccc2nc(/C=C\c3ccc(C(F)(F)F)cc3)[nH]c2c1.CS(=O)(=O)Nc1ccccc1-c1ccc2nc(C3CC3c3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C25H21F3N2O.C24H20F3N3O2S.C24H22N2O/c1-24(2,31)20-6-4-3-5-19(20)17-10-13-21-22(15-17)30-23(29-21)14-9-16-7-11-18(12-8-16)25(26,27)28;1-33(31,32)30-20-5-3-2-4-17(20)15-8-11-21-22(12-15)29-23(28-21)19-13-18(19)14-6-9-16(10-7-14)24(25,26)27;1-24(2,27)20-11-7-6-10-19(20)18-13-14-21-22(16-18)26-23(25-21)15-12-17-8-4-3-5-9-17/h3-15,31H,1-2H3,(H,29,30);2-12,18-19,30H,13H2,1H3,(H,28,29);3-16,27H,1-2H3,(H,25,26)/b14-9-;;15-12+
InChIKeyACXADXVUVURZMY-CQUCYMEISA-N
XLogP18.17
TPSA172.67 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds13
Heavy Atoms91
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001248.41
LogP ≤ 518.17
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 2-[2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol with MolForge

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Related Compounds

Mavatrep
CID 17751090
2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 53344884
2-[2-[2-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 59007872
2-[2-[2-[2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 67164254
1,1,1-trifluoro-N-[4-[2-[6-[2-(1-hydroxyethyl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide
CID 53345979
1,1,1-trifluoro-N-[4-[2-[6-[2-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]ethyl]phenyl]methanesulfonamide
CID 53346086
1,1,1-trifluoro-N-[4-[2-[6-[2-(2-hydroxypropan-2-yl)phenyl]-1H-benzimidazol-2-yl]ethynyl]phenyl]methanesulfonamide
CID 58381217
1,1,1-trifluoro-N-[4-[2-[4-(2-hydroxypropan-2-yl)-6-phenyl-1H-benzimidazol-2-yl]ethynyl]phenyl]methanesulfonamide
CID 58381561
2-[2-[2-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 59007873
2-[2-[2-[(1R,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 59007911
2-[2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 59007960
2-[2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
CID 59007982

Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol (CID 157075265) is 2-[2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol is CC(C)(O)c1ccccc1-c1ccc2nc(/C=C/c3ccccc3)[nH]c2c1.CC(C)(O)c1ccccc1-c1ccc2nc(/C=C\c3ccc(C(F)(F)F)cc3)[nH]c2c1.CS(=O)(=O)Nc1ccccc1-c1ccc2nc(C3CC3c3ccc(C(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
The InChIKey is ACXADXVUVURZMY-CQUCYMEISA-N. The full InChI is InChI=1S/C25H21F3N2O.C24H20F3N3O2S.C24H22N2O/c1-24(2,31)20-6-4-3-5-19(20)17-10-13-21-22(15-17)30-23(29-21)14-9-16-7-11-18(12-8-16)25(26,27)28;1-33(31,32)30-20-5-3-2-4-17(20)15-8-11-21-22(12-15)29-23(28-21)19-13-18(19)14-6-9-16(10-7-14)24(25,26)27;1-24(2,27)20-11-7-6-10-19(20)18-13-14-21-22(16-18)26-23(25-21)15-12-17-8-4-3-5-9-17/h3-15,31H,1-2H3,(H,29,30);2-12,18-19,30H,13H2,1H3,(H,28,29);3-16,27H,1-2H3,(H,25,26)/b14-9-;;15-12+.
What are the key properties of 2-[2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
2-[2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol has a molecular weight of 1248.41 g/mol, XLogP of 18.17, 13 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[(E)-2-phenylethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;N-[2-[2-[2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]methanesulfonamide;2-[2-[2-[(Z)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol is sourced from PubChem (CID 157075265), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).