4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide

C11H13N5O — CID 112595697

IUPAC4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCn1cnc(C#N)c1C#N
InChIInChI=1S/C11H13N5O/c1-15(2)11(17)4-3-5-16-8-14-9(6-12)10(16)7-13/h8H,3-5H2,1-2H3
InChIKeyWCTXZMQHEAXXGM-UHFFFAOYSA-N
MW231.26 g/mol
LogP0.49
Rot. Bonds4

About 4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide

4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide (PubChem CID 112595697) has the molecular formula C11H13N5O and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide.

Molecular Properties

Compound Name4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide
PubChem CID112595697
Molecular FormulaC11H13N5O
Molecular Weight231.26 g/mol
Exact Mass231.11
IUPAC Name4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide
SMILESCN(C)C(=O)CCCn1cnc(C#N)c1C#N
InChIInChI=1S/C11H13N5O/c1-15(2)11(17)4-3-5-16-8-14-9(6-12)10(16)7-13/h8H,3-5H2,1-2H3
InChIKeyWCTXZMQHEAXXGM-UHFFFAOYSA-N
XLogP0.49
TPSA85.71 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 50.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

5-(4,5-dicyanoimidazol-1-yl)pentanoic acid
CID 112595008
1-(3-oxobutyl)imidazole-4,5-dicarbonitrile
CID 112595254
1-nonylimidazole-4,5-dicarbonitrile
CID 112595489
1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile
CID 112595521
1-[3-(methylamino)propyl]imidazole-4,5-dicarbonitrile
CID 112595329
1-(5-amino-5-cyanohexyl)imidazole-4,5-dicarbonitrile
CID 112595359
1-(2-chloroethyl)imidazole-4,5-dicarbonitrile
CID 112595041
1-hept-6-enylimidazole-4,5-dicarbonitrile
CID 107010176
1-(3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile
CID 75508781
N-benzyl-2-(4,5-dicyanoimidazol-1-yl)-N-methylacetamide
CID 75508724
1-(2-hydroxypropyl)imidazole-4,5-dicarbonitrile
CID 112595298
1-[3-(cyclopropylamino)propyl]imidazole-4,5-dicarbonitrile
CID 112595336

Frequently Asked Questions

What is the IUPAC name of 4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide?
The IUPAC name of 4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide (CID 112595697) is 4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide.
What is the SMILES notation for 4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide?
The canonical SMILES for 4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide is CN(C)C(=O)CCCn1cnc(C#N)c1C#N.
What is the InChIKey of 4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide?
The InChIKey is WCTXZMQHEAXXGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N5O/c1-15(2)11(17)4-3-5-16-8-14-9(6-12)10(16)7-13/h8H,3-5H2,1-2H3.
What are the key properties of 4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide?
4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide has a molecular weight of 231.26 g/mol, XLogP of 0.49, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide is sourced from PubChem (CID 112595697), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).