2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile

C11H12N4 — CID 116909829

IUPAC2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile
SMILESCN(C)C(C#N)c1ccc2nc[nH]c2c1
InChIInChI=1S/C11H12N4/c1-15(2)11(6-12)8-3-4-9-10(5-8)14-7-13-9/h3-5,7,11H,1-2H3,(H,13,14)
InChIKeyJGVKROVSFSXMNF-UHFFFAOYSA-N
MW200.24 g/mol
LogP1.69
Rot. Bonds2

About 2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile

2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile (PubChem CID 116909829) has the molecular formula C11H12N4 and a molecular weight of 200.24 g/mol. Its IUPAC name is 2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile.

Molecular Properties

Compound Name2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile
PubChem CID116909829
Molecular FormulaC11H12N4
Molecular Weight200.24 g/mol
Exact Mass200.11
IUPAC Name2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile
SMILESCN(C)C(C#N)c1ccc2nc[nH]c2c1
InChIInChI=1S/C11H12N4/c1-15(2)11(6-12)8-3-4-9-10(5-8)14-7-13-9/h3-5,7,11H,1-2H3,(H,13,14)
InChIKeyJGVKROVSFSXMNF-UHFFFAOYSA-N
XLogP1.69
TPSA55.71 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500200.24
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-[3H-benzimidazol-5-yl(dimethylamino)methyl]-3-methylbutanenitrile
CID 116913817
2-(3H-benzimidazol-5-yl)butanenitrile
CID 116964577
2-(3H-benzimidazol-5-yl)-2-(dimethylamino)ethanol
CID 116857291
1-(3H-benzimidazol-5-yl)-2-ethyl-N,N-dimethylpropane-1,3-diamine
CID 116913369
1-(azetidin-3-yl)-1-(3H-benzimidazol-5-yl)-N,N-dimethylmethanamine
CID 116906262
6-(dimethoxymethyl)-1H-benzimidazole
CID 141171021
6-pentan-3-yl-1H-benzimidazole
CID 134401277
1-(3H-benzimidazol-5-yl)-1-N,1-N,3-trimethylbutane-1,3-diamine
CID 116905075
methyl 3-(3H-benzimidazol-5-yl)-3-(dimethylamino)propanoate
CID 116910225
ethyl 2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetate
CID 116914274
5-(3H-benzimidazol-5-yl)-5-(dimethylamino)pentan-2-one
CID 116910664
CID 157410638
CID 157410638

Frequently Asked Questions

What is the IUPAC name of 2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile?
The IUPAC name of 2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile (CID 116909829) is 2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile.
What is the SMILES notation for 2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile?
The canonical SMILES for 2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile is CN(C)C(C#N)c1ccc2nc[nH]c2c1.
What is the InChIKey of 2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile?
The InChIKey is JGVKROVSFSXMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4/c1-15(2)11(6-12)8-3-4-9-10(5-8)14-7-13-9/h3-5,7,11H,1-2H3,(H,13,14).
What are the key properties of 2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile?
2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile has a molecular weight of 200.24 g/mol, XLogP of 1.69, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3H-benzimidazol-5-yl)-2-(dimethylamino)acetonitrile is sourced from PubChem (CID 116909829), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).