4-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethoxy)benzonitrile

C15H7ClF3N3O2 — CID 122656475

IUPAC4-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethoxy)benzonitrile
SMILESN#Cc1ccc(Cl)c(-c2ccc3[nH]c(=O)[nH]c3c2)c1OC(F)(F)F
InChIInChI=1S/C15H7ClF3N3O2/c16-9-3-1-8(6-20)13(24-15(17,18)19)12(9)7-2-4-10-11(5-7)22-14(23)21-10/h1-5H,(H2,21,22,23)
InChIKeyYGLLJFHBVCSNBU-UHFFFAOYSA-N
MW353.69 g/mol
LogP3.95
Rot. Bonds2

About 4-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethoxy)benzonitrile

4-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethoxy)benzonitrile (PubChem CID 122656475) has the molecular formula C15H7ClF3N3O2 and a molecular weight of 353.69 g/mol. Its IUPAC name is 4-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethoxy)benzonitrile.

Molecular Properties

Compound Name4-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethoxy)benzonitrile
PubChem CID122656475
Molecular FormulaC15H7ClF3N3O2
Molecular Weight353.69 g/mol
Exact Mass353.02
IUPAC Name4-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethoxy)benzonitrile
SMILESN#Cc1ccc(Cl)c(-c2ccc3[nH]c(=O)[nH]c3c2)c1OC(F)(F)F
InChIInChI=1S/C15H7ClF3N3O2/c16-9-3-1-8(6-20)13(24-15(17,18)19)12(9)7-2-4-10-11(5-7)22-14(23)21-10/h1-5H,(H2,21,22,23)
InChIKeyYGLLJFHBVCSNBU-UHFFFAOYSA-N
XLogP3.95
TPSA81.67 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.69
LogP ≤ 53.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethoxy)benzonitrile?
The IUPAC name of 4-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethoxy)benzonitrile (CID 122656475) is 4-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethoxy)benzonitrile.
What is the SMILES notation for 4-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethoxy)benzonitrile?
The canonical SMILES for 4-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethoxy)benzonitrile is N#Cc1ccc(Cl)c(-c2ccc3[nH]c(=O)[nH]c3c2)c1OC(F)(F)F.
What is the InChIKey of 4-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethoxy)benzonitrile?
The InChIKey is YGLLJFHBVCSNBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H7ClF3N3O2/c16-9-3-1-8(6-20)13(24-15(17,18)19)12(9)7-2-4-10-11(5-7)22-14(23)21-10/h1-5H,(H2,21,22,23).
What are the key properties of 4-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethoxy)benzonitrile?
4-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethoxy)benzonitrile has a molecular weight of 353.69 g/mol, XLogP of 3.95, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-3-(2-oxo-1,3-dihydrobenzimidazol-5-yl)-2-(trifluoromethoxy)benzonitrile is sourced from PubChem (CID 122656475), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).