2-(2-amino-4-cyanobenzimidazol-1-yl)-N,N-dimethylpropanamide

C13H15N5O — CID 104718812

IUPAC2-(2-amino-4-cyanobenzimidazol-1-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C13H15N5O/c1-8(12(19)17(2)3)18-10-6-4-5-9(7-14)11(10)16-13(18)15/h4-6,8H,1-3H3,(H2,15,16)
InChIKeyAYVTZOJQCSYSKJ-UHFFFAOYSA-N
MW257.30 g/mol
LogP1.14
Rot. Bonds2

About 2-(2-amino-4-cyanobenzimidazol-1-yl)-N,N-dimethylpropanamide

2-(2-amino-4-cyanobenzimidazol-1-yl)-N,N-dimethylpropanamide (PubChem CID 104718812) has the molecular formula C13H15N5O and a molecular weight of 257.30 g/mol. Its IUPAC name is 2-(2-amino-4-cyanobenzimidazol-1-yl)-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-(2-amino-4-cyanobenzimidazol-1-yl)-N,N-dimethylpropanamide
PubChem CID104718812
Molecular FormulaC13H15N5O
Molecular Weight257.30 g/mol
Exact Mass257.13
IUPAC Name2-(2-amino-4-cyanobenzimidazol-1-yl)-N,N-dimethylpropanamide
SMILESCC(C(=O)N(C)C)n1c(N)nc2c(C#N)cccc21
InChIInChI=1S/C13H15N5O/c1-8(12(19)17(2)3)18-10-6-4-5-9(7-14)11(10)16-13(18)15/h4-6,8H,1-3H3,(H2,15,16)
InChIKeyAYVTZOJQCSYSKJ-UHFFFAOYSA-N
XLogP1.14
TPSA87.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500257.30
LogP ≤ 51.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-amino-4-cyanobenzimidazol-1-yl)-N-cyclopropylpropanamide
CID 104719136
2-amino-1-(1-methoxybutan-2-yl)benzimidazole-4-carbonitrile
CID 104719013
ethyl 2-[2-(chloromethyl)-4-cyanobenzimidazol-1-yl]propanoate
CID 104719511
2-(2-amino-4-ethoxybenzimidazol-1-yl)-N-ethyl-N-methylpropanamide
CID 103112206
2-amino-1-[2-(dimethylamino)ethyl]benzimidazole-4-carbonitrile
CID 113444999
2-amino-1-(3-methyl-2-propan-2-ylbutyl)benzimidazole-4-carbonitrile
CID 102906796
2-amino-1-[1-(2-bicyclo[2.2.1]heptanyl)ethyl]benzimidazole-4-carbonitrile
CID 104718624
2-amino-1-(2-methylphenyl)benzimidazole-4-carbonitrile
CID 104718715
ethyl 3-(2-amino-4-cyanobenzimidazol-1-yl)propanoate
CID 104718923
2-(1-chloroethyl)-1-propan-2-ylbenzimidazole-4-carbonitrile
CID 104719167
2-amino-1-(2,3-dimethylphenyl)benzimidazole-4-carbonitrile
CID 104718701
2-(chloromethyl)-1-propan-2-ylbenzimidazole-4-carbonitrile
CID 104719165

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-4-cyanobenzimidazol-1-yl)-N,N-dimethylpropanamide?
The IUPAC name of 2-(2-amino-4-cyanobenzimidazol-1-yl)-N,N-dimethylpropanamide (CID 104718812) is 2-(2-amino-4-cyanobenzimidazol-1-yl)-N,N-dimethylpropanamide.
What is the SMILES notation for 2-(2-amino-4-cyanobenzimidazol-1-yl)-N,N-dimethylpropanamide?
The canonical SMILES for 2-(2-amino-4-cyanobenzimidazol-1-yl)-N,N-dimethylpropanamide is CC(C(=O)N(C)C)n1c(N)nc2c(C#N)cccc21.
What is the InChIKey of 2-(2-amino-4-cyanobenzimidazol-1-yl)-N,N-dimethylpropanamide?
The InChIKey is AYVTZOJQCSYSKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N5O/c1-8(12(19)17(2)3)18-10-6-4-5-9(7-14)11(10)16-13(18)15/h4-6,8H,1-3H3,(H2,15,16).
What are the key properties of 2-(2-amino-4-cyanobenzimidazol-1-yl)-N,N-dimethylpropanamide?
2-(2-amino-4-cyanobenzimidazol-1-yl)-N,N-dimethylpropanamide has a molecular weight of 257.30 g/mol, XLogP of 1.14, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-4-cyanobenzimidazol-1-yl)-N,N-dimethylpropanamide is sourced from PubChem (CID 104718812), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).