2-(benzimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

C20H19F3N4O2 — CID 2997865

IUPAC2-(benzimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)14-5-6-18(26-7-9-29-10-8-26)16(11-14)25-19(28)12-27-13-24-15-3-1-2-4-17(15)27/h1-6,11,13H,7-10,12H2,(H,25,28)
InChIKeyBNSBTGHLMMXSRC-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.53
Rot. Bonds4

About 2-(benzimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide

2-(benzimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 2997865) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 2-(benzimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(benzimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
PubChem CID2997865
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name2-(benzimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1cnc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)14-5-6-18(26-7-9-29-10-8-26)16(11-14)25-19(28)12-27-13-24-15-3-1-2-4-17(15)27/h1-6,11,13H,7-10,12H2,(H,25,28)
InChIKeyBNSBTGHLMMXSRC-UHFFFAOYSA-N
XLogP3.53
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(benzimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 2-(benzimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(benzimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide (CID 2997865) is 2-(benzimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(benzimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(benzimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is O=C(Cn1cnc2ccccc21)Nc1cc(C(F)(F)F)ccc1N1CCOCC1.
What is the InChIKey of 2-(benzimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is BNSBTGHLMMXSRC-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c21-20(22,23)14-5-6-18(26-7-9-29-10-8-26)16(11-14)25-19(28)12-27-13-24-15-3-1-2-4-17(15)27/h1-6,11,13H,7-10,12H2,(H,25,28).
What are the key properties of 2-(benzimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide?
2-(benzimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 404.39 g/mol, XLogP of 3.53, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(benzimidazol-1-yl)-N-[2-morpholin-4-yl-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 2997865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).