2-morpholin-4-yl-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide

C20H19F3N4O2 — CID 46886174

IUPAC2-morpholin-4-yl-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)14-3-6-16-17(11-14)26-19(25-16)13-1-4-15(5-2-13)24-18(28)12-27-7-9-29-10-8-27/h1-6,11H,7-10,12H2,(H,24,28)(H,25,26)
InChIKeyINSKVGRRZNXFHQ-UHFFFAOYSA-N
MW404.39 g/mol
LogP3.52
Rot. Bonds4

About 2-morpholin-4-yl-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide

2-morpholin-4-yl-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide (PubChem CID 46886174) has the molecular formula C20H19F3N4O2 and a molecular weight of 404.39 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide
PubChem CID46886174
Molecular FormulaC20H19F3N4O2
Molecular Weight404.39 g/mol
Exact Mass404.15
IUPAC Name2-morpholin-4-yl-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide
SMILESO=C(CN1CCOCC1)Nc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1
InChIInChI=1S/C20H19F3N4O2/c21-20(22,23)14-3-6-16-17(11-14)26-19(25-16)13-1-4-15(5-2-13)24-18(28)12-27-7-9-29-10-8-27/h1-6,11H,7-10,12H2,(H,24,28)(H,25,26)
InChIKeyINSKVGRRZNXFHQ-UHFFFAOYSA-N
XLogP3.52
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500404.39
LogP ≤ 53.52
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 2-morpholin-4-yl-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]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

Related Compounds

1-(2,6-difluorophenyl)-3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-2-yl]-1H-pyrazol-4-yl}urea
CID 135428039
1-(2-fluorophenyl)-3-{3-[5-(morpholin-4-ylmethyl)-1H-1,3-benzodiazol-2-yl]-1H-pyrazol-4-yl}urea
CID 135909512
8-[5-(4-Fluorophenyl)-1H-benzimidazol-2-yl]-3-phenyl-1-oxa-3,8-diazaspiro-[4.5]decan-2-one
CID 25071620
3-phenyl-8-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]-1-oxa-3-azaspiro[4.5]decan-2-one
CID 25071931
N-[4-[[4-[2-(difluoromethyl)benzimidazol-1-yl]-6-morpholin-4-yl-1,3,5-triazin-2-yl]amino]cyclohexyl]-2-(dimethylamino)acetamide
CID 68041083
N-[3-(acetylamino)-5-(1H-benzimidazol-2-yl)phenyl]acetamide
CID 763483
A-381393
CID 11301655
N-(2-morpholin-4-yl-3H-benzimidazol-5-yl)-3-[4-(trifluoromethyl)phenyl]propanamide
CID 44143501
LasR-IN-4
CID 68671011
N-[2-(1H-benzimidazol-2-yl)ethyl]-2-[4-(5-methylbenzotriazol-1-yl)piperidin-1-yl]acetamide
CID 645440
2-(1H-benzimidazol-2-ylthio)-N-[2-(4-morpholinyl)-5-(trifluoromethyl)phenyl]acetamide
CID 2234072
4-(4-Benzyl-piperazin-1-yl)-2-trifluoromethyl-1H-benzoimidazole
CID 44323763

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide?
The IUPAC name of 2-morpholin-4-yl-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide (CID 46886174) is 2-morpholin-4-yl-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide.
What is the SMILES notation for 2-morpholin-4-yl-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide?
The canonical SMILES for 2-morpholin-4-yl-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide is O=C(CN1CCOCC1)Nc1ccc(-c2nc3ccc(C(F)(F)F)cc3[nH]2)cc1.
What is the InChIKey of 2-morpholin-4-yl-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide?
The InChIKey is INSKVGRRZNXFHQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19F3N4O2/c21-20(22,23)14-3-6-16-17(11-14)26-19(25-16)13-1-4-15(5-2-13)24-18(28)12-27-7-9-29-10-8-27/h1-6,11H,7-10,12H2,(H,24,28)(H,25,26).
What are the key properties of 2-morpholin-4-yl-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide?
2-morpholin-4-yl-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide has a molecular weight of 404.39 g/mol, XLogP of 3.52, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-[4-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]acetamide is sourced from PubChem (CID 46886174), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).