2-[7-(2-hydroxyethyl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide

C19H18F3N3O3 — CID 11567361

IUPAC2-[7-(2-hydroxyethyl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(NC(=O)Cn2cnc3cccc(CCO)c32)cc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N3O3/c1-28-15-8-13(19(20,21)22)7-14(9-15)24-17(27)10-25-11-23-16-4-2-3-12(5-6-26)18(16)25/h2-4,7-9,11,26H,5-6,10H2,1H3,(H,24,27)
InChIKeyHSEHJSYMZQGEQH-UHFFFAOYSA-N
MW393.37 g/mol
LogP3.24
Rot. Bonds6

About 2-[7-(2-hydroxyethyl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide

2-[7-(2-hydroxyethyl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 11567361) has the molecular formula C19H18F3N3O3 and a molecular weight of 393.37 g/mol. Its IUPAC name is 2-[7-(2-hydroxyethyl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[7-(2-hydroxyethyl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide
PubChem CID11567361
Molecular FormulaC19H18F3N3O3
Molecular Weight393.37 g/mol
Exact Mass393.13
IUPAC Name2-[7-(2-hydroxyethyl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(NC(=O)Cn2cnc3cccc(CCO)c32)cc(C(F)(F)F)c1
InChIInChI=1S/C19H18F3N3O3/c1-28-15-8-13(19(20,21)22)7-14(9-15)24-17(27)10-25-11-23-16-4-2-3-12(5-6-26)18(16)25/h2-4,7-9,11,26H,5-6,10H2,1H3,(H,24,27)
InChIKeyHSEHJSYMZQGEQH-UHFFFAOYSA-N
XLogP3.24
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.37
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-hydroxyethyl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[7-(2-hydroxyethyl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide (CID 11567361) is 2-[7-(2-hydroxyethyl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[7-(2-hydroxyethyl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[7-(2-hydroxyethyl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide is COc1cc(NC(=O)Cn2cnc3cccc(CCO)c32)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[7-(2-hydroxyethyl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is HSEHJSYMZQGEQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F3N3O3/c1-28-15-8-13(19(20,21)22)7-14(9-15)24-17(27)10-25-11-23-16-4-2-3-12(5-6-26)18(16)25/h2-4,7-9,11,26H,5-6,10H2,1H3,(H,24,27).
What are the key properties of 2-[7-(2-hydroxyethyl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide?
2-[7-(2-hydroxyethyl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 393.37 g/mol, XLogP of 3.24, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-hydroxyethyl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 11567361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).