N,N-dimethyl-1-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanamine;2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzaldehyde;2-[2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol

C73H58F9N7O2 — CID 162112147

IUPACN,N-dimethyl-1-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanamine;2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzaldehyde;2-[2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-c1ccc2nc(/C=C/c3ccccc3C(F)(F)F)[nH]c2c1.CN(C)Cc1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2c1.O=Cc1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C25H22F3N3.C25H21F3N2O.C23H15F3N2O/c1-31(2)16-19-5-3-4-6-21(19)18-10-13-22-23(15-18)30-24(29-22)14-9-17-7-11-20(12-8-17)25(26,27)28;1-24(2,31)20-10-6-4-8-18(20)17-11-13-21-22(15-17)30-23(29-21)14-12-16-7-3-5-9-19(16)25(26,27)28;24-23(25,26)18-9-5-15(6-10-18)7-12-22-27-20-11-8-16(13-21(20)28-22)19-4-2-1-3-17(19)14-29/h3-15H,16H2,1-2H3,(H,29,30);3-15,31H,1-2H3,(H,29,30);1-14H,(H,27,28)/b14-9+;14-12+;12-7+
InChIKeyZGHGFOHUWZLGTJ-PLQUFNPPSA-N
MW1236.30 g/mol
LogP19.36
Rot. Bonds13

About N,N-dimethyl-1-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanamine;2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzaldehyde;2-[2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol

N,N-dimethyl-1-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanamine;2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzaldehyde;2-[2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol (PubChem CID 162112147) has the molecular formula C73H58F9N7O2 and a molecular weight of 1236.30 g/mol. Its IUPAC name is N,N-dimethyl-1-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanamine;2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzaldehyde;2-[2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol.

Molecular Properties

Compound NameN,N-dimethyl-1-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanamine;2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzaldehyde;2-[2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
PubChem CID162112147
Molecular FormulaC73H58F9N7O2
Molecular Weight1236.30 g/mol
Exact Mass1235.45
IUPAC NameN,N-dimethyl-1-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanamine;2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzaldehyde;2-[2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol
SMILESCC(C)(O)c1ccccc1-c1ccc2nc(/C=C/c3ccccc3C(F)(F)F)[nH]c2c1.CN(C)Cc1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2c1.O=Cc1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2c1
InChIInChI=1S/C25H22F3N3.C25H21F3N2O.C23H15F3N2O/c1-31(2)16-19-5-3-4-6-21(19)18-10-13-22-23(15-18)30-24(29-22)14-9-17-7-11-20(12-8-17)25(26,27)28;1-24(2,31)20-10-6-4-8-18(20)17-11-13-21-22(15-17)30-23(29-21)14-12-16-7-3-5-9-19(16)25(26,27)28;24-23(25,26)18-9-5-15(6-10-18)7-12-22-27-20-11-8-16(13-21(20)28-22)19-4-2-1-3-17(19)14-29/h3-15H,16H2,1-2H3,(H,29,30);3-15,31H,1-2H3,(H,29,30);1-14H,(H,27,28)/b14-9+;14-12+;12-7+
InChIKeyZGHGFOHUWZLGTJ-PLQUFNPPSA-N
XLogP19.36
TPSA126.58 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds13
Heavy Atoms91
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 5001236.30
LogP ≤ 519.36
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

Analyze N,N-dimethyl-1-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanamine;2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzaldehyde;2-[2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol with MolForge

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-1-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanamine;2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzaldehyde;2-[2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
The IUPAC name of N,N-dimethyl-1-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanamine;2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzaldehyde;2-[2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol (CID 162112147) is N,N-dimethyl-1-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanamine;2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzaldehyde;2-[2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol.
What is the SMILES notation for N,N-dimethyl-1-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanamine;2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzaldehyde;2-[2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
The canonical SMILES for N,N-dimethyl-1-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanamine;2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzaldehyde;2-[2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol is CC(C)(O)c1ccccc1-c1ccc2nc(/C=C/c3ccccc3C(F)(F)F)[nH]c2c1.CN(C)Cc1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2c1.O=Cc1ccccc1-c1ccc2nc(/C=C/c3ccc(C(F)(F)F)cc3)[nH]c2c1.
What is the InChIKey of N,N-dimethyl-1-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanamine;2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzaldehyde;2-[2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
The InChIKey is ZGHGFOHUWZLGTJ-PLQUFNPPSA-N. The full InChI is InChI=1S/C25H22F3N3.C25H21F3N2O.C23H15F3N2O/c1-31(2)16-19-5-3-4-6-21(19)18-10-13-22-23(15-18)30-24(29-22)14-9-17-7-11-20(12-8-17)25(26,27)28;1-24(2,31)20-10-6-4-8-18(20)17-11-13-21-22(15-17)30-23(29-21)14-12-16-7-3-5-9-19(16)25(26,27)28;24-23(25,26)18-9-5-15(6-10-18)7-12-22-27-20-11-8-16(13-21(20)28-22)19-4-2-1-3-17(19)14-29/h3-15H,16H2,1-2H3,(H,29,30);3-15,31H,1-2H3,(H,29,30);1-14H,(H,27,28)/b14-9+;14-12+;12-7+.
What are the key properties of N,N-dimethyl-1-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanamine;2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzaldehyde;2-[2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol?
N,N-dimethyl-1-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanamine;2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzaldehyde;2-[2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol has a molecular weight of 1236.30 g/mol, XLogP of 19.36, 13 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-1-[2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]methanamine;2-[2-[(E)-2-[4-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]benzaldehyde;2-[2-[2-[(E)-2-[2-(trifluoromethyl)phenyl]ethenyl]-3H-benzimidazol-5-yl]phenyl]propan-2-ol is sourced from PubChem (CID 162112147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).