3-morpholin-4-yl-N-(2-phenyl-3H-benzimidazol-5-yl)-5-(trifluoromethyl)benzamide

C25H21F3N4O2 — CID 57405834

IUPAC3-morpholin-4-yl-N-(2-phenyl-3H-benzimidazol-5-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1cc(N2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C25H21F3N4O2/c26-25(27,28)18-12-17(13-20(14-18)32-8-10-34-11-9-32)24(33)29-19-6-7-21-22(15-19)31-23(30-21)16-4-2-1-3-5-16/h1-7,12-15H,8-11H2,(H,29,33)(H,30,31)
InChIKeyJSUWTYIGFIEFAN-UHFFFAOYSA-N
MW466.46 g/mol
LogP5.34
Rot. Bonds4

About 3-morpholin-4-yl-N-(2-phenyl-3H-benzimidazol-5-yl)-5-(trifluoromethyl)benzamide

3-morpholin-4-yl-N-(2-phenyl-3H-benzimidazol-5-yl)-5-(trifluoromethyl)benzamide (PubChem CID 57405834) has the molecular formula C25H21F3N4O2 and a molecular weight of 466.46 g/mol. Its IUPAC name is 3-morpholin-4-yl-N-(2-phenyl-3H-benzimidazol-5-yl)-5-(trifluoromethyl)benzamide.

Molecular Properties

Compound Name3-morpholin-4-yl-N-(2-phenyl-3H-benzimidazol-5-yl)-5-(trifluoromethyl)benzamide
PubChem CID57405834
Molecular FormulaC25H21F3N4O2
Molecular Weight466.46 g/mol
Exact Mass466.16
IUPAC Name3-morpholin-4-yl-N-(2-phenyl-3H-benzimidazol-5-yl)-5-(trifluoromethyl)benzamide
SMILESO=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1cc(N2CCOCC2)cc(C(F)(F)F)c1
InChIInChI=1S/C25H21F3N4O2/c26-25(27,28)18-12-17(13-20(14-18)32-8-10-34-11-9-32)24(33)29-19-6-7-21-22(15-19)31-23(30-21)16-4-2-1-3-5-16/h1-7,12-15H,8-11H2,(H,29,33)(H,30,31)
InChIKeyJSUWTYIGFIEFAN-UHFFFAOYSA-N
XLogP5.34
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.46
LogP ≤ 55.34
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-morpholin-4-yl-N-(2-phenyl-3H-benzimidazol-5-yl)-5-(trifluoromethyl)benzamide?
The IUPAC name of 3-morpholin-4-yl-N-(2-phenyl-3H-benzimidazol-5-yl)-5-(trifluoromethyl)benzamide (CID 57405834) is 3-morpholin-4-yl-N-(2-phenyl-3H-benzimidazol-5-yl)-5-(trifluoromethyl)benzamide.
What is the SMILES notation for 3-morpholin-4-yl-N-(2-phenyl-3H-benzimidazol-5-yl)-5-(trifluoromethyl)benzamide?
The canonical SMILES for 3-morpholin-4-yl-N-(2-phenyl-3H-benzimidazol-5-yl)-5-(trifluoromethyl)benzamide is O=C(Nc1ccc2nc(-c3ccccc3)[nH]c2c1)c1cc(N2CCOCC2)cc(C(F)(F)F)c1.
What is the InChIKey of 3-morpholin-4-yl-N-(2-phenyl-3H-benzimidazol-5-yl)-5-(trifluoromethyl)benzamide?
The InChIKey is JSUWTYIGFIEFAN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H21F3N4O2/c26-25(27,28)18-12-17(13-20(14-18)32-8-10-34-11-9-32)24(33)29-19-6-7-21-22(15-19)31-23(30-21)16-4-2-1-3-5-16/h1-7,12-15H,8-11H2,(H,29,33)(H,30,31).
What are the key properties of 3-morpholin-4-yl-N-(2-phenyl-3H-benzimidazol-5-yl)-5-(trifluoromethyl)benzamide?
3-morpholin-4-yl-N-(2-phenyl-3H-benzimidazol-5-yl)-5-(trifluoromethyl)benzamide has a molecular weight of 466.46 g/mol, XLogP of 5.34, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-morpholin-4-yl-N-(2-phenyl-3H-benzimidazol-5-yl)-5-(trifluoromethyl)benzamide is sourced from PubChem (CID 57405834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).