2-(2-pyridin-2-ylbenzimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

C21H15F3N4O — CID 30867684

IUPAC2-(2-pyridin-2-ylbenzimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(-c2ccccn2)nc2ccccc21)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H15F3N4O/c22-21(23,24)14-7-1-2-8-15(14)26-19(29)13-28-18-11-4-3-9-16(18)27-20(28)17-10-5-6-12-25-17/h1-12H,13H2,(H,26,29)
InChIKeyDQLISFMUEOANJO-UHFFFAOYSA-N
MW396.37 g/mol
LogP4.76
Rot. Bonds4

About 2-(2-pyridin-2-ylbenzimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide

2-(2-pyridin-2-ylbenzimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (PubChem CID 30867684) has the molecular formula C21H15F3N4O and a molecular weight of 396.37 g/mol. Its IUPAC name is 2-(2-pyridin-2-ylbenzimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.

Molecular Properties

Compound Name2-(2-pyridin-2-ylbenzimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
PubChem CID30867684
Molecular FormulaC21H15F3N4O
Molecular Weight396.37 g/mol
Exact Mass396.12
IUPAC Name2-(2-pyridin-2-ylbenzimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide
SMILESO=C(Cn1c(-c2ccccn2)nc2ccccc21)Nc1ccccc1C(F)(F)F
InChIInChI=1S/C21H15F3N4O/c22-21(23,24)14-7-1-2-8-15(14)26-19(29)13-28-18-11-4-3-9-16(18)27-20(28)17-10-5-6-12-25-17/h1-12H,13H2,(H,26,29)
InChIKeyDQLISFMUEOANJO-UHFFFAOYSA-N
XLogP4.76
TPSA59.81 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.37
LogP ≤ 54.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(2-pyridin-2-ylbenzimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The IUPAC name of 2-(2-pyridin-2-ylbenzimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide (CID 30867684) is 2-(2-pyridin-2-ylbenzimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide.
What is the SMILES notation for 2-(2-pyridin-2-ylbenzimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The canonical SMILES for 2-(2-pyridin-2-ylbenzimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is O=C(Cn1c(-c2ccccn2)nc2ccccc21)Nc1ccccc1C(F)(F)F.
What is the InChIKey of 2-(2-pyridin-2-ylbenzimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
The InChIKey is DQLISFMUEOANJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15F3N4O/c22-21(23,24)14-7-1-2-8-15(14)26-19(29)13-28-18-11-4-3-9-16(18)27-20(28)17-10-5-6-12-25-17/h1-12H,13H2,(H,26,29).
What are the key properties of 2-(2-pyridin-2-ylbenzimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide?
2-(2-pyridin-2-ylbenzimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide has a molecular weight of 396.37 g/mol, XLogP of 4.76, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-pyridin-2-ylbenzimidazol-1-yl)-N-[2-(trifluoromethyl)phenyl]acetamide is sourced from PubChem (CID 30867684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).