3-(1H-benzimidazol-2-yl)-6-(dimethylamino)-2-fluorobenzonitrile

C16H13FN4 — CID 168555369

IUPAC3-(1H-benzimidazol-2-yl)-6-(dimethylamino)-2-fluorobenzonitrile
SMILESCN(C)c1ccc(-c2nc3ccccc3[nH]2)c(F)c1C#N
InChIInChI=1S/C16H13FN4/c1-21(2)14-8-7-10(15(17)11(14)9-18)16-19-12-5-3-4-6-13(12)20-16/h3-8H,1-2H3,(H,19,20)
InChIKeyVOGCKICHQKMYNQ-UHFFFAOYSA-N
MW280.31 g/mol
LogP3.31
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-6-(dimethylamino)-2-fluorobenzonitrile

3-(1H-benzimidazol-2-yl)-6-(dimethylamino)-2-fluorobenzonitrile (PubChem CID 168555369) has the molecular formula C16H13FN4 and a molecular weight of 280.31 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-6-(dimethylamino)-2-fluorobenzonitrile.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-6-(dimethylamino)-2-fluorobenzonitrile
PubChem CID168555369
Molecular FormulaC16H13FN4
Molecular Weight280.31 g/mol
Exact Mass280.11
IUPAC Name3-(1H-benzimidazol-2-yl)-6-(dimethylamino)-2-fluorobenzonitrile
SMILESCN(C)c1ccc(-c2nc3ccccc3[nH]2)c(F)c1C#N
InChIInChI=1S/C16H13FN4/c1-21(2)14-8-7-10(15(17)11(14)9-18)16-19-12-5-3-4-6-13(12)20-16/h3-8H,1-2H3,(H,19,20)
InChIKeyVOGCKICHQKMYNQ-UHFFFAOYSA-N
XLogP3.31
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.31
LogP ≤ 53.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4-[4-(1H-benzimidazol-2-yl)-N-methylanilino]benzonitrile
CID 168555272
6-(1H-benzimidazol-2-yl)-2-fluoro-3-iodophenol
CID 168555762
6-(1H-benzimidazol-2-yl)-2,3-difluoroaniline
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4-(1H-benzimidazol-2-yl)-3-chloro-N,N-dimethylaniline
CID 168555503
4-(1H-benzimidazol-2-yl)-N,N-dimethylaniline;ethane
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3-[2-(1H-benzimidazol-2-yl)phenyl]benzonitrile
CID 168554018
[2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide
CID 168555826
2-(2,3-difluorophenyl)-3H-benzimidazole-5-carbonitrile
CID 79004256
CID 20700346
CID 20700346
2-(2-fluoro-4-methoxyphenyl)-1H-benzimidazole
CID 83402422
6-(dimethylamino)-2-fluoro-3-(9-oxo-1,3,10-triazatricyclo[6.4.1.04,13]trideca-2,4,6,8(13)-tetraen-2-yl)benzonitrile
CID 70113663
2-amino-6-(1H-benzimidazol-2-yl)-4-(4-methoxyphenyl)pyridine-3-carbonitrile
CID 73347759

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-6-(dimethylamino)-2-fluorobenzonitrile?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-6-(dimethylamino)-2-fluorobenzonitrile (CID 168555369) is 3-(1H-benzimidazol-2-yl)-6-(dimethylamino)-2-fluorobenzonitrile.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-6-(dimethylamino)-2-fluorobenzonitrile?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-6-(dimethylamino)-2-fluorobenzonitrile is CN(C)c1ccc(-c2nc3ccccc3[nH]2)c(F)c1C#N.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-6-(dimethylamino)-2-fluorobenzonitrile?
The InChIKey is VOGCKICHQKMYNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H13FN4/c1-21(2)14-8-7-10(15(17)11(14)9-18)16-19-12-5-3-4-6-13(12)20-16/h3-8H,1-2H3,(H,19,20).
What are the key properties of 3-(1H-benzimidazol-2-yl)-6-(dimethylamino)-2-fluorobenzonitrile?
3-(1H-benzimidazol-2-yl)-6-(dimethylamino)-2-fluorobenzonitrile has a molecular weight of 280.31 g/mol, XLogP of 3.31, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-6-(dimethylamino)-2-fluorobenzonitrile is sourced from PubChem (CID 168555369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).