4-(5-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide;4-(6-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide

C44H30F8N6O4 — CID 44527342

IUPAC4-(5-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide;4-(6-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide
SMILESNC(=O)c1ccc(-n2cnc3cc(F)ccc32)cc1OCc1ccccc1C(F)(F)F.NC(=O)c1ccc(-n2cnc3ccc(F)cc32)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/2C22H15F4N3O2/c23-14-5-8-19-18(9-14)28-12-29(19)15-6-7-16(21(27)30)20(10-15)31-11-13-3-1-2-4-17(13)22(24,25)26;23-14-5-8-18-19(9-14)29(12-28-18)15-6-7-16(21(27)30)20(10-15)31-11-13-3-1-2-4-17(13)22(24,25)26/h2*1-10,12H,11H2,(H2,27,30)
InChIKeyULTQXIAYCFHWQA-UHFFFAOYSA-N
MW858.75 g/mol
LogP9.72
Rot. Bonds10

About 4-(5-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide;4-(6-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide

4-(5-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide;4-(6-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide (PubChem CID 44527342) has the molecular formula C44H30F8N6O4 and a molecular weight of 858.75 g/mol. Its IUPAC name is 4-(5-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide;4-(6-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide.

Molecular Properties

Compound Name4-(5-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide;4-(6-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide
PubChem CID44527342
Molecular FormulaC44H30F8N6O4
Molecular Weight858.75 g/mol
Exact Mass858.22
IUPAC Name4-(5-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide;4-(6-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide
SMILESNC(=O)c1ccc(-n2cnc3cc(F)ccc32)cc1OCc1ccccc1C(F)(F)F.NC(=O)c1ccc(-n2cnc3ccc(F)cc32)cc1OCc1ccccc1C(F)(F)F
InChIInChI=1S/2C22H15F4N3O2/c23-14-5-8-19-18(9-14)28-12-29(19)15-6-7-16(21(27)30)20(10-15)31-11-13-3-1-2-4-17(13)22(24,25)26;23-14-5-8-18-19(9-14)29(12-28-18)15-6-7-16(21(27)30)20(10-15)31-11-13-3-1-2-4-17(13)22(24,25)26/h2*1-10,12H,11H2,(H2,27,30)
InChIKeyULTQXIAYCFHWQA-UHFFFAOYSA-N
XLogP9.72
TPSA140.28 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds10
Heavy Atoms62
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500858.75
LogP ≤ 59.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 4-(5-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide;4-(6-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide?
The IUPAC name of 4-(5-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide;4-(6-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide (CID 44527342) is 4-(5-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide;4-(6-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide.
What is the SMILES notation for 4-(5-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide;4-(6-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide?
The canonical SMILES for 4-(5-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide;4-(6-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide is NC(=O)c1ccc(-n2cnc3cc(F)ccc32)cc1OCc1ccccc1C(F)(F)F.NC(=O)c1ccc(-n2cnc3ccc(F)cc32)cc1OCc1ccccc1C(F)(F)F.
What is the InChIKey of 4-(5-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide;4-(6-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide?
The InChIKey is ULTQXIAYCFHWQA-UHFFFAOYSA-N. The full InChI is InChI=1S/2C22H15F4N3O2/c23-14-5-8-19-18(9-14)28-12-29(19)15-6-7-16(21(27)30)20(10-15)31-11-13-3-1-2-4-17(13)22(24,25)26;23-14-5-8-18-19(9-14)29(12-28-18)15-6-7-16(21(27)30)20(10-15)31-11-13-3-1-2-4-17(13)22(24,25)26/h2*1-10,12H,11H2,(H2,27,30).
What are the key properties of 4-(5-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide;4-(6-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide?
4-(5-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide;4-(6-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide has a molecular weight of 858.75 g/mol, XLogP of 9.72, 10 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide;4-(6-fluorobenzimidazol-1-yl)-2-[[2-(trifluoromethyl)phenyl]methoxy]benzamide is sourced from PubChem (CID 44527342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).