2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol

C75H64F9N7O4S — CID 157145859

IUPAC2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-c1ccc2nc([C@H]3C[C@@H]3c3ccc(C(F)(F)F)cc3)[nH]c2c1.CC(C)(O)c1ccccc1-c1ccc2nc([C@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc([C@H]3C[C@@H]3c3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/2C26H23F3N2O.C23H18F3N3O2S/c2*1-25(2,32)21-6-4-3-5-18(21)16-9-12-22-23(13-16)31-24(30-22)20-14-19(20)15-7-10-17(11-8-15)26(27,28)29;24-23(25,26)15-8-5-13(6-9-15)17-12-18(17)22-28-19-10-7-14(11-20(19)29-22)16-3-1-2-4-21(16)32(27,30)31/h2*3-13,19-20,32H,14H2,1-2H3,(H,30,31);1-11,17-18H,12H2,(H,28,29)(H2,27,30,31)/t19-,20+;19-,20-;17-,18+/m101/s1
InChIKeyAKRQVPHVMZUTSY-NAHIRIEWSA-N
MW1330.43 g/mol
LogP18.66
Rot. Bonds12

About 2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol

2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol (PubChem CID 157145859) has the molecular formula C75H64F9N7O4S and a molecular weight of 1330.43 g/mol. Its IUPAC name is 2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol.

Molecular Properties

Compound Name2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
PubChem CID157145859
Molecular FormulaC75H64F9N7O4S
Molecular Weight1330.43 g/mol
Exact Mass1329.46
IUPAC Name2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-c1ccc2nc([C@H]3C[C@@H]3c3ccc(C(F)(F)F)cc3)[nH]c2c1.CC(C)(O)c1ccccc1-c1ccc2nc([C@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc([C@H]3C[C@@H]3c3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/2C26H23F3N2O.C23H18F3N3O2S/c2*1-25(2,32)21-6-4-3-5-18(21)16-9-12-22-23(13-16)31-24(30-22)20-14-19(20)15-7-10-17(11-8-15)26(27,28)29;24-23(25,26)15-8-5-13(6-9-15)17-12-18(17)22-28-19-10-7-14(11-20(19)29-22)16-3-1-2-4-21(16)32(27,30)31/h2*3-13,19-20,32H,14H2,1-2H3,(H,30,31);1-11,17-18H,12H2,(H,28,29)(H2,27,30,31)/t19-,20+;19-,20-;17-,18+/m101/s1
InChIKeyAKRQVPHVMZUTSY-NAHIRIEWSA-N
XLogP18.66
TPSA186.66 Ų
H-Bond Donors6
H-Bond Acceptors7
Rotatable Bonds12
Heavy Atoms96
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001330.43
LogP ≤ 518.66
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 107

Analyze 2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
The IUPAC name of 2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol (CID 157145859) is 2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol.
What is the SMILES notation for 2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
The canonical SMILES for 2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol is CC(C)(O)c1ccccc1-c1ccc2nc([C@H]3C[C@@H]3c3ccc(C(F)(F)F)cc3)[nH]c2c1.CC(C)(O)c1ccccc1-c1ccc2nc([C@H]3C[C@H]3c3ccc(C(F)(F)F)cc3)[nH]c2c1.NS(=O)(=O)c1ccccc1-c1ccc2nc([C@H]3C[C@@H]3c3ccc(C(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of 2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
The InChIKey is AKRQVPHVMZUTSY-NAHIRIEWSA-N. The full InChI is InChI=1S/2C26H23F3N2O.C23H18F3N3O2S/c2*1-25(2,32)21-6-4-3-5-18(21)16-9-12-22-23(13-16)31-24(30-22)20-14-19(20)15-7-10-17(11-8-15)26(27,28)29;24-23(25,26)15-8-5-13(6-9-15)17-12-18(17)22-28-19-10-7-14(11-20(19)29-22)16-3-1-2-4-21(16)32(27,30)31/h2*3-13,19-20,32H,14H2,1-2H3,(H,30,31);1-11,17-18H,12H2,(H,28,29)(H2,27,30,31)/t19-,20+;19-,20-;17-,18+/m101/s1.
What are the key properties of 2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol has a molecular weight of 1330.43 g/mol, XLogP of 18.66, 12 rotatable bonds, 6 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]benzenesulfonamide;2-[2-[2-[(1S,2R)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol;2-[2-[2-[(1S,2S)-2-[4-(trifluoromethyl)phenyl]cyclopropyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol is sourced from PubChem (CID 157145859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).