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

C20H20F3N3O3 — CID 11509728

IUPAC2-[7-(1-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(NC(=O)Cn2cnc3cccc(C(C)CO)c32)cc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3N3O3/c1-12(10-27)16-4-3-5-17-19(16)26(11-24-17)9-18(28)25-14-6-13(20(21,22)23)7-15(8-14)29-2/h3-8,11-12,27H,9-10H2,1-2H3,(H,25,28)
InChIKeyFUUKOAOSOOFZHG-UHFFFAOYSA-N
MW407.39 g/mol
LogP3.80
Rot. Bonds6

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

2-[7-(1-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 11509728) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 2-[7-(1-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[7-(1-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide
PubChem CID11509728
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name2-[7-(1-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(NC(=O)Cn2cnc3cccc(C(C)CO)c32)cc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3N3O3/c1-12(10-27)16-4-3-5-17-19(16)26(11-24-17)9-18(28)25-14-6-13(20(21,22)23)7-15(8-14)29-2/h3-8,11-12,27H,9-10H2,1-2H3,(H,25,28)
InChIKeyFUUKOAOSOOFZHG-UHFFFAOYSA-N
XLogP3.80
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 53.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 2-[7-(1-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-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-[7-(1-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[7-(1-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide (CID 11509728) is 2-[7-(1-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[7-(1-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[7-(1-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide is COc1cc(NC(=O)Cn2cnc3cccc(C(C)CO)c32)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[7-(1-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is FUUKOAOSOOFZHG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-12(10-27)16-4-3-5-17-19(16)26(11-24-17)9-18(28)25-14-6-13(20(21,22)23)7-15(8-14)29-2/h3-8,11-12,27H,9-10H2,1-2H3,(H,25,28).
What are the key properties of 2-[7-(1-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide?
2-[7-(1-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 407.39 g/mol, XLogP of 3.80, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(1-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 11509728), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).