2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide

C12H12N4O — CID 115172919

IUPAC2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
SMILESCc1nc2cc(NC(=O)CC#N)ccc2n1C
InChIInChI=1S/C12H12N4O/c1-8-14-10-7-9(15-12(17)5-6-13)3-4-11(10)16(8)2/h3-4,7H,5H2,1-2H3,(H,15,17)
InChIKeyKWCOHUSIUVSVJE-UHFFFAOYSA-N
MW228.25 g/mol
LogP1.73
Rot. Bonds2

About 2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide

2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide (PubChem CID 115172919) has the molecular formula C12H12N4O and a molecular weight of 228.25 g/mol. Its IUPAC name is 2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
PubChem CID115172919
Molecular FormulaC12H12N4O
Molecular Weight228.25 g/mol
Exact Mass228.10
IUPAC Name2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
SMILESCc1nc2cc(NC(=O)CC#N)ccc2n1C
InChIInChI=1S/C12H12N4O/c1-8-14-10-7-9(15-12(17)5-6-13)3-4-11(10)16(8)2/h3-4,7H,5H2,1-2H3,(H,15,17)
InChIKeyKWCOHUSIUVSVJE-UHFFFAOYSA-N
XLogP1.73
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.25
LogP ≤ 51.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(1,2-dimethylbenzimidazol-5-yl)butanamide
CID 965373
N-(1-benzyl-2-methylbenzimidazol-5-yl)-2-cyanoacetamide
CID 168521415
N-(1,2-dimethylbenzimidazol-5-yl)-4-methylbenzamide
CID 711844
methyl N-(1,2-dimethylbenzimidazol-5-yl)carbamate
CID 110779217
N-(1,2-dimethylbenzimidazol-5-yl)-2-(5-methyl-1H-pyrrol-3-yl)acetamide
CID 112527544
3-(1,2-dimethylbenzimidazol-5-yl)-1,1-dimethylurea
CID 110869161
2-(3-chlorophenyl)-N-(1,2-dimethylbenzimidazol-5-yl)acetamide
CID 110779237
2-cyano-N-[1-(3-methylphenyl)benzimidazol-5-yl]acetamide
CID 168521648
1-[(1,2-dimethylbenzimidazol-5-yl)amino]propan-2-one
CID 115234497
4-(1,2-dimethylbenzimidazol-5-yl)-4-oxobutanenitrile
CID 116862122
N-(1,2-dimethylbenzimidazol-5-yl)cyclobutanecarboxamide
CID 110779226
2-(1,2-dimethylbenzimidazol-5-yl)-N-(3-methylphenyl)acetamide
CID 110773176

Frequently Asked Questions

What is the IUPAC name of 2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide?
The IUPAC name of 2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide (CID 115172919) is 2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide?
The canonical SMILES for 2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide is Cc1nc2cc(NC(=O)CC#N)ccc2n1C.
What is the InChIKey of 2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide?
The InChIKey is KWCOHUSIUVSVJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O/c1-8-14-10-7-9(15-12(17)5-6-13)3-4-11(10)16(8)2/h3-4,7H,5H2,1-2H3,(H,15,17).
What are the key properties of 2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide?
2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide has a molecular weight of 228.25 g/mol, XLogP of 1.73, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-cyano-N-(1,2-dimethylbenzimidazol-5-yl)acetamide is sourced from PubChem (CID 115172919), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).