4-[3-chloro-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]benzonitrile

C20H12ClN3O — CID 122656620

IUPAC4-[3-chloro-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(Cl)c2-c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C20H12ClN3O/c21-16-3-1-2-15(13-6-4-12(11-22)5-7-13)19(16)14-8-9-17-18(10-14)24-20(25)23-17/h1-10H,(H2,23,24,25)
InChIKeyWUZIJBZLDBXOJG-UHFFFAOYSA-N
MW345.79 g/mol
LogP4.72
Rot. Bonds2

About 4-[3-chloro-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]benzonitrile

4-[3-chloro-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]benzonitrile (PubChem CID 122656620) has the molecular formula C20H12ClN3O and a molecular weight of 345.79 g/mol. Its IUPAC name is 4-[3-chloro-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]benzonitrile.

Molecular Properties

Compound Name4-[3-chloro-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]benzonitrile
PubChem CID122656620
Molecular FormulaC20H12ClN3O
Molecular Weight345.79 g/mol
Exact Mass345.07
IUPAC Name4-[3-chloro-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]benzonitrile
SMILESN#Cc1ccc(-c2cccc(Cl)c2-c2ccc3[nH]c(=O)[nH]c3c2)cc1
InChIInChI=1S/C20H12ClN3O/c21-16-3-1-2-15(13-6-4-12(11-22)5-7-13)19(16)14-8-9-17-18(10-14)24-20(25)23-17/h1-10H,(H2,23,24,25)
InChIKeyWUZIJBZLDBXOJG-UHFFFAOYSA-N
XLogP4.72
TPSA72.44 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.79
LogP ≤ 54.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-[3-chloro-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]benzonitrile?
The IUPAC name of 4-[3-chloro-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]benzonitrile (CID 122656620) is 4-[3-chloro-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]benzonitrile.
What is the SMILES notation for 4-[3-chloro-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]benzonitrile?
The canonical SMILES for 4-[3-chloro-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]benzonitrile is N#Cc1ccc(-c2cccc(Cl)c2-c2ccc3[nH]c(=O)[nH]c3c2)cc1.
What is the InChIKey of 4-[3-chloro-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]benzonitrile?
The InChIKey is WUZIJBZLDBXOJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H12ClN3O/c21-16-3-1-2-15(13-6-4-12(11-22)5-7-13)19(16)14-8-9-17-18(10-14)24-20(25)23-17/h1-10H,(H2,23,24,25).
What are the key properties of 4-[3-chloro-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]benzonitrile?
4-[3-chloro-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]benzonitrile has a molecular weight of 345.79 g/mol, XLogP of 4.72, 2 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[3-chloro-2-(2-oxo-1,3-dihydrobenzimidazol-5-yl)phenyl]benzonitrile is sourced from PubChem (CID 122656620), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).