4,5-dicyano-N,N-dimethylimidazole-1-carboxamide

C8H7N5O — CID 23343418

IUPAC4,5-dicyano-N,N-dimethylimidazole-1-carboxamide
SMILESCN(C)C(=O)n1cnc(C#N)c1C#N
InChIInChI=1S/C8H7N5O/c1-12(2)8(14)13-5-11-6(3-9)7(13)4-10/h5H,1-2H3
InChIKeyKIJVREAQCNJNND-UHFFFAOYSA-N
MW189.18 g/mol
LogP0.16
Rot. Bonds

About 4,5-dicyano-N,N-dimethylimidazole-1-carboxamide

4,5-dicyano-N,N-dimethylimidazole-1-carboxamide (PubChem CID 23343418) has the molecular formula C8H7N5O and a molecular weight of 189.18 g/mol. Its IUPAC name is 4,5-dicyano-N,N-dimethylimidazole-1-carboxamide.

Molecular Properties

Compound Name4,5-dicyano-N,N-dimethylimidazole-1-carboxamide
PubChem CID23343418
Molecular FormulaC8H7N5O
Molecular Weight189.18 g/mol
Exact Mass189.07
IUPAC Name4,5-dicyano-N,N-dimethylimidazole-1-carboxamide
SMILESCN(C)C(=O)n1cnc(C#N)c1C#N
InChIInChI=1S/C8H7N5O/c1-12(2)8(14)13-5-11-6(3-9)7(13)4-10/h5H,1-2H3
InChIKeyKIJVREAQCNJNND-UHFFFAOYSA-N
XLogP0.16
TPSA85.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.18
LogP ≤ 50.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4,5-dicyano-N,N-dimethylimidazole-1-carboxamide?
The IUPAC name of 4,5-dicyano-N,N-dimethylimidazole-1-carboxamide (CID 23343418) is 4,5-dicyano-N,N-dimethylimidazole-1-carboxamide.
What is the SMILES notation for 4,5-dicyano-N,N-dimethylimidazole-1-carboxamide?
The canonical SMILES for 4,5-dicyano-N,N-dimethylimidazole-1-carboxamide is CN(C)C(=O)n1cnc(C#N)c1C#N.
What is the InChIKey of 4,5-dicyano-N,N-dimethylimidazole-1-carboxamide?
The InChIKey is KIJVREAQCNJNND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H7N5O/c1-12(2)8(14)13-5-11-6(3-9)7(13)4-10/h5H,1-2H3.
What are the key properties of 4,5-dicyano-N,N-dimethylimidazole-1-carboxamide?
4,5-dicyano-N,N-dimethylimidazole-1-carboxamide has a molecular weight of 189.18 g/mol, XLogP of 0.16, 0 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-dicyano-N,N-dimethylimidazole-1-carboxamide is sourced from PubChem (CID 23343418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).