4-[4-(1H-benzimidazol-2-yl)-N-methylanilino]benzonitrile

C21H16N4 — CID 168555272

IUPAC4-[4-(1H-benzimidazol-2-yl)-N-methylanilino]benzonitrile
SMILESCN(c1ccc(C#N)cc1)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H16N4/c1-25(17-10-6-15(14-22)7-11-17)18-12-8-16(9-13-18)21-23-19-4-2-3-5-20(19)24-21/h2-13H,1H3,(H,23,24)
InChIKeyLJMDSSVNDDBLCU-UHFFFAOYSA-N
MW324.39 g/mol
LogP4.87
Rot. Bonds3

About 4-[4-(1H-benzimidazol-2-yl)-N-methylanilino]benzonitrile

4-[4-(1H-benzimidazol-2-yl)-N-methylanilino]benzonitrile (PubChem CID 168555272) has the molecular formula C21H16N4 and a molecular weight of 324.39 g/mol. Its IUPAC name is 4-[4-(1H-benzimidazol-2-yl)-N-methylanilino]benzonitrile.

Molecular Properties

Compound Name4-[4-(1H-benzimidazol-2-yl)-N-methylanilino]benzonitrile
PubChem CID168555272
Molecular FormulaC21H16N4
Molecular Weight324.39 g/mol
Exact Mass324.14
IUPAC Name4-[4-(1H-benzimidazol-2-yl)-N-methylanilino]benzonitrile
SMILESCN(c1ccc(C#N)cc1)c1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C21H16N4/c1-25(17-10-6-15(14-22)7-11-17)18-12-8-16(9-13-18)21-23-19-4-2-3-5-20(19)24-21/h2-13H,1H3,(H,23,24)
InChIKeyLJMDSSVNDDBLCU-UHFFFAOYSA-N
XLogP4.87
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.39
LogP ≤ 54.87
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-(1H-benzimidazol-2-yl)-N-(4-methoxyphenyl)-N-methylaniline
CID 168555273
4-[N-methyl-4-(4-oxo-3H-quinazolin-2-yl)anilino]benzonitrile
CID 168552766
4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane
CID 90927480
2-[4-[4-(1H-benzimidazol-2-yl)phenyl]phenyl]-1H-benzimidazole
CID 12522580
azane;2-phenyl-1H-benzimidazole
CID 172858780
6-[4-(1H-benzimidazol-2-yl)phenoxy]pyridine-3-carbonitrile
CID 168555204
2-[4-(1H-benzimidazol-2-yl)-N-methylanilino]ethanol
CID 139235304
4-(6-hydroxy-1H-benzimidazol-2-yl)benzonitrile
CID 81431797
2-[4-[3,5-bis[4-(1H-benzimidazol-2-yl)phenyl]phenyl]phenyl]-1H-benzimidazole
CID 102200427
2-(4-methylphenyl)-3H-benzimidazole-5-carbonitrile
CID 10489821
2-phenyl-1H-benzimidazole;zinc
CID 174639851
2-phenyl-1H-benzimidazole;hydrobromide
CID 160835464

Frequently Asked Questions

What is the IUPAC name of 4-[4-(1H-benzimidazol-2-yl)-N-methylanilino]benzonitrile?
The IUPAC name of 4-[4-(1H-benzimidazol-2-yl)-N-methylanilino]benzonitrile (CID 168555272) is 4-[4-(1H-benzimidazol-2-yl)-N-methylanilino]benzonitrile.
What is the SMILES notation for 4-[4-(1H-benzimidazol-2-yl)-N-methylanilino]benzonitrile?
The canonical SMILES for 4-[4-(1H-benzimidazol-2-yl)-N-methylanilino]benzonitrile is CN(c1ccc(C#N)cc1)c1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of 4-[4-(1H-benzimidazol-2-yl)-N-methylanilino]benzonitrile?
The InChIKey is LJMDSSVNDDBLCU-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4/c1-25(17-10-6-15(14-22)7-11-17)18-12-8-16(9-13-18)21-23-19-4-2-3-5-20(19)24-21/h2-13H,1H3,(H,23,24).
What are the key properties of 4-[4-(1H-benzimidazol-2-yl)-N-methylanilino]benzonitrile?
4-[4-(1H-benzimidazol-2-yl)-N-methylanilino]benzonitrile has a molecular weight of 324.39 g/mol, XLogP of 4.87, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(1H-benzimidazol-2-yl)-N-methylanilino]benzonitrile is sourced from PubChem (CID 168555272), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).