4-amino-2-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbenzamide

C14H12N6O — CID 115944574

IUPAC4-amino-2-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)cc1-n1cnc(C#N)c1C#N
InChIInChI=1S/C14H12N6O/c1-19(2)14(21)10-4-3-9(17)5-12(10)20-8-18-11(6-15)13(20)7-16/h3-5,8H,17H2,1-2H3
InChIKeyFDPYCILZHJMOQR-UHFFFAOYSA-N
MW280.29 g/mol
LogP0.90
Rot. Bonds2

About 4-amino-2-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbenzamide

4-amino-2-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbenzamide (PubChem CID 115944574) has the molecular formula C14H12N6O and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-amino-2-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-amino-2-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbenzamide
PubChem CID115944574
Molecular FormulaC14H12N6O
Molecular Weight280.29 g/mol
Exact Mass280.11
IUPAC Name4-amino-2-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbenzamide
SMILESCN(C)C(=O)c1ccc(N)cc1-n1cnc(C#N)c1C#N
InChIInChI=1S/C14H12N6O/c1-19(2)14(21)10-4-3-9(17)5-12(10)20-8-18-11(6-15)13(20)7-16/h3-5,8H,17H2,1-2H3
InChIKeyFDPYCILZHJMOQR-UHFFFAOYSA-N
XLogP0.90
TPSA111.73 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aniline', 'substructure': 'N/A'}

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Related Compounds

2-(4,5-dicyanoimidazol-1-yl)-4-methoxybenzoic acid
CID 115944951
5-amino-2-(4,5-dicyanoimidazol-1-yl)-N-methylbenzenesulfonamide
CID 103287638
2-amino-3-(4,5-dicyanoimidazol-1-yl)benzoic acid
CID 112595307
methyl 2-amino-5-(4,5-dicyanoimidazol-1-yl)-4-fluorobenzoate
CID 115944890
2-amino-5-(4,5-dicyanoimidazol-1-yl)benzoic acid
CID 112595309
methyl 2-amino-5-(4,5-dicyanoimidazol-1-yl)benzoate
CID 115944894
1-[5-amino-2-(dimethylcarbamoyl)phenyl]pyrazole-4-carboxamide
CID 64780433
4-amino-2-(3-hydroxy-3-methylpyrrolidin-1-yl)-N,N-dimethylbenzamide
CID 103355246
1-(4-amino-2-cyanophenyl)-N,N-dimethylpyrazole-3-carboxamide
CID 64780550
4-amino-2-(4-hydroxy-3-methylpiperidin-1-yl)-N,N-dimethylbenzamide
CID 114677740
1-(2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 112595783
1-(5-methyl-2-nitrophenyl)imidazole-4,5-dicarbonitrile
CID 112595750

Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbenzamide?
The IUPAC name of 4-amino-2-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbenzamide (CID 115944574) is 4-amino-2-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbenzamide.
What is the SMILES notation for 4-amino-2-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbenzamide?
The canonical SMILES for 4-amino-2-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbenzamide is CN(C)C(=O)c1ccc(N)cc1-n1cnc(C#N)c1C#N.
What is the InChIKey of 4-amino-2-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbenzamide?
The InChIKey is FDPYCILZHJMOQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12N6O/c1-19(2)14(21)10-4-3-9(17)5-12(10)20-8-18-11(6-15)13(20)7-16/h3-5,8H,17H2,1-2H3.
What are the key properties of 4-amino-2-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbenzamide?
4-amino-2-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbenzamide has a molecular weight of 280.29 g/mol, XLogP of 0.90, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbenzamide is sourced from PubChem (CID 115944574), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).