2-(3-hydroxyphenyl)-N-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide

C28H20F3N3O2 — CID 44523624

IUPAC2-(3-hydroxyphenyl)-N-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide
SMILESO=C(Cc1cccc(O)c1)Nc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1
InChIInChI=1S/C28H20F3N3O2/c29-28(30,31)21-9-12-24-25(16-21)34-27(33-24)20-5-2-4-19(15-20)18-7-10-22(11-8-18)32-26(36)14-17-3-1-6-23(35)13-17/h1-13,15-16,35H,14H2,(H,32,36)(H,33,34)
InChIKeyLCTHIVSFQPTLMT-UHFFFAOYSA-N
MW487.48 g/mol
LogP6.80
Rot. Bonds5

About 2-(3-hydroxyphenyl)-N-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide

2-(3-hydroxyphenyl)-N-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide (PubChem CID 44523624) has the molecular formula C28H20F3N3O2 and a molecular weight of 487.48 g/mol. Its IUPAC name is 2-(3-hydroxyphenyl)-N-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide.

Molecular Properties

Compound Name2-(3-hydroxyphenyl)-N-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide
PubChem CID44523624
Molecular FormulaC28H20F3N3O2
Molecular Weight487.48 g/mol
Exact Mass487.15
IUPAC Name2-(3-hydroxyphenyl)-N-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide
SMILESO=C(Cc1cccc(O)c1)Nc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1
InChIInChI=1S/C28H20F3N3O2/c29-28(30,31)21-9-12-24-25(16-21)34-27(33-24)20-5-2-4-19(15-20)18-7-10-22(11-8-18)32-26(36)14-17-3-1-6-23(35)13-17/h1-13,15-16,35H,14H2,(H,32,36)(H,33,34)
InChIKeyLCTHIVSFQPTLMT-UHFFFAOYSA-N
XLogP6.80
TPSA78.01 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500487.48
LogP ≤ 56.80
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(3-hydroxyphenyl)-N-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide?
The IUPAC name of 2-(3-hydroxyphenyl)-N-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide (CID 44523624) is 2-(3-hydroxyphenyl)-N-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide.
What is the SMILES notation for 2-(3-hydroxyphenyl)-N-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide?
The canonical SMILES for 2-(3-hydroxyphenyl)-N-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide is O=C(Cc1cccc(O)c1)Nc1ccc(-c2cccc(-c3nc4ccc(C(F)(F)F)cc4[nH]3)c2)cc1.
What is the InChIKey of 2-(3-hydroxyphenyl)-N-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide?
The InChIKey is LCTHIVSFQPTLMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H20F3N3O2/c29-28(30,31)21-9-12-24-25(16-21)34-27(33-24)20-5-2-4-19(15-20)18-7-10-22(11-8-18)32-26(36)14-17-3-1-6-23(35)13-17/h1-13,15-16,35H,14H2,(H,32,36)(H,33,34).
What are the key properties of 2-(3-hydroxyphenyl)-N-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide?
2-(3-hydroxyphenyl)-N-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide has a molecular weight of 487.48 g/mol, XLogP of 6.80, 5 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-hydroxyphenyl)-N-[4-[3-[6-(trifluoromethyl)-1H-benzimidazol-2-yl]phenyl]phenyl]acetamide is sourced from PubChem (CID 44523624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).