N-(5-cyano-1,2-dimethylimidazol-4-yl)cyclobutanecarboxamide

C11H14N4O — CID 134104902

IUPACN-(5-cyano-1,2-dimethylimidazol-4-yl)cyclobutanecarboxamide
SMILESCc1nc(NC(=O)C2CCC2)c(C#N)n1C
InChIInChI=1S/C11H14N4O/c1-7-13-10(9(6-12)15(7)2)14-11(16)8-4-3-5-8/h8H,3-5H2,1-2H3,(H,14,16)
InChIKeyDXHWHDCDECFAHM-UHFFFAOYSA-N
MW218.26 g/mol
LogP1.34
Rot. Bonds2

About N-(5-cyano-1,2-dimethylimidazol-4-yl)cyclobutanecarboxamide

N-(5-cyano-1,2-dimethylimidazol-4-yl)cyclobutanecarboxamide (PubChem CID 134104902) has the molecular formula C11H14N4O and a molecular weight of 218.26 g/mol. Its IUPAC name is N-(5-cyano-1,2-dimethylimidazol-4-yl)cyclobutanecarboxamide.

Molecular Properties

Compound NameN-(5-cyano-1,2-dimethylimidazol-4-yl)cyclobutanecarboxamide
PubChem CID134104902
Molecular FormulaC11H14N4O
Molecular Weight218.26 g/mol
Exact Mass218.12
IUPAC NameN-(5-cyano-1,2-dimethylimidazol-4-yl)cyclobutanecarboxamide
SMILESCc1nc(NC(=O)C2CCC2)c(C#N)n1C
InChIInChI=1S/C11H14N4O/c1-7-13-10(9(6-12)15(7)2)14-11(16)8-4-3-5-8/h8H,3-5H2,1-2H3,(H,14,16)
InChIKeyDXHWHDCDECFAHM-UHFFFAOYSA-N
XLogP1.34
TPSA70.71 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500218.26
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(5-cyano-1,2-dimethylimidazol-4-yl)cyclobutanecarboxamide?
The IUPAC name of N-(5-cyano-1,2-dimethylimidazol-4-yl)cyclobutanecarboxamide (CID 134104902) is N-(5-cyano-1,2-dimethylimidazol-4-yl)cyclobutanecarboxamide.
What is the SMILES notation for N-(5-cyano-1,2-dimethylimidazol-4-yl)cyclobutanecarboxamide?
The canonical SMILES for N-(5-cyano-1,2-dimethylimidazol-4-yl)cyclobutanecarboxamide is Cc1nc(NC(=O)C2CCC2)c(C#N)n1C.
What is the InChIKey of N-(5-cyano-1,2-dimethylimidazol-4-yl)cyclobutanecarboxamide?
The InChIKey is DXHWHDCDECFAHM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4O/c1-7-13-10(9(6-12)15(7)2)14-11(16)8-4-3-5-8/h8H,3-5H2,1-2H3,(H,14,16).
What are the key properties of N-(5-cyano-1,2-dimethylimidazol-4-yl)cyclobutanecarboxamide?
N-(5-cyano-1,2-dimethylimidazol-4-yl)cyclobutanecarboxamide has a molecular weight of 218.26 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-cyano-1,2-dimethylimidazol-4-yl)cyclobutanecarboxamide is sourced from PubChem (CID 134104902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).