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

C20H20F3N3O3 — CID 11697153

IUPAC2-[7-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(NC(=O)Cn2cnc3cccc(C(C)(C)O)c32)cc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3N3O3/c1-19(2,28)15-5-4-6-16-18(15)26(11-24-16)10-17(27)25-13-7-12(20(21,22)23)8-14(9-13)29-3/h4-9,11,28H,10H2,1-3H3,(H,25,27)
InChIKeyWCIZOFPPVNADCE-UHFFFAOYSA-N
MW407.39 g/mol
LogP3.93
Rot. Bonds5

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

2-[7-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide (PubChem CID 11697153) has the molecular formula C20H20F3N3O3 and a molecular weight of 407.39 g/mol. Its IUPAC name is 2-[7-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-[7-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide
PubChem CID11697153
Molecular FormulaC20H20F3N3O3
Molecular Weight407.39 g/mol
Exact Mass407.15
IUPAC Name2-[7-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide
SMILESCOc1cc(NC(=O)Cn2cnc3cccc(C(C)(C)O)c32)cc(C(F)(F)F)c1
InChIInChI=1S/C20H20F3N3O3/c1-19(2,28)15-5-4-6-16-18(15)26(11-24-16)10-17(27)25-13-7-12(20(21,22)23)8-14(9-13)29-3/h4-9,11,28H,10H2,1-3H3,(H,25,27)
InChIKeyWCIZOFPPVNADCE-UHFFFAOYSA-N
XLogP3.93
TPSA76.38 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.39
LogP ≤ 53.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[7-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-[7-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide (CID 11697153) is 2-[7-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-[7-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-[7-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide is COc1cc(NC(=O)Cn2cnc3cccc(C(C)(C)O)c32)cc(C(F)(F)F)c1.
What is the InChIKey of 2-[7-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide?
The InChIKey is WCIZOFPPVNADCE-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20F3N3O3/c1-19(2,28)15-5-4-6-16-18(15)26(11-24-16)10-17(27)25-13-7-12(20(21,22)23)8-14(9-13)29-3/h4-9,11,28H,10H2,1-3H3,(H,25,27).
What are the key properties of 2-[7-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide?
2-[7-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide has a molecular weight of 407.39 g/mol, XLogP of 3.93, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[7-(2-hydroxypropan-2-yl)benzimidazol-1-yl]-N-[3-methoxy-5-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 11697153), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).