1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile

C9H11N5 — CID 112595521

IUPAC1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile
SMILESCN(C)CCn1cnc(C#N)c1C#N
InChIInChI=1S/C9H11N5/c1-13(2)3-4-14-7-12-8(5-10)9(14)6-11/h7H,3-4H2,1-2H3
InChIKeyKDAIETOMDHICOJ-UHFFFAOYSA-N
MW189.22 g/mol
LogP0.19
Rot. Bonds3

About 1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile

1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile (PubChem CID 112595521) has the molecular formula C9H11N5 and a molecular weight of 189.22 g/mol. Its IUPAC name is 1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile.

Molecular Properties

Compound Name1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile
PubChem CID112595521
Molecular FormulaC9H11N5
Molecular Weight189.22 g/mol
Exact Mass189.10
IUPAC Name1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile
SMILESCN(C)CCn1cnc(C#N)c1C#N
InChIInChI=1S/C9H11N5/c1-13(2)3-4-14-7-12-8(5-10)9(14)6-11/h7H,3-4H2,1-2H3
InChIKeyKDAIETOMDHICOJ-UHFFFAOYSA-N
XLogP0.19
TPSA68.64 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.22
LogP ≤ 50.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-chloroethyl)imidazole-4,5-dicarbonitrile
CID 112595041
1-nonylimidazole-4,5-dicarbonitrile
CID 112595489
4-(4,5-dicyanoimidazol-1-yl)-N,N-dimethylbutanamide
CID 112595697
1-(3-oxobutyl)imidazole-4,5-dicarbonitrile
CID 112595254
1-[3-(methylamino)propyl]imidazole-4,5-dicarbonitrile
CID 112595329
1-(methoxymethyl)imidazole-4,5-dicarbonitrile
CID 15054275
1-(3-propan-2-yloxypropyl)imidazole-4,5-dicarbonitrile
CID 75508781
1-prop-2-ynylimidazole-4,5-dicarbonitrile
CID 112595691
1-(2-aminopropyl)imidazole-4,5-dicarbonitrile
CID 102689223
1-(2-hydroxypropyl)imidazole-4,5-dicarbonitrile
CID 112595298
1-(5-amino-5-cyanohexyl)imidazole-4,5-dicarbonitrile
CID 112595359
5-(4,5-dicyanoimidazol-1-yl)pentanoic acid
CID 112595008

Frequently Asked Questions

What is the IUPAC name of 1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile?
The IUPAC name of 1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile (CID 112595521) is 1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile.
What is the SMILES notation for 1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile?
The canonical SMILES for 1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile is CN(C)CCn1cnc(C#N)c1C#N.
What is the InChIKey of 1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile?
The InChIKey is KDAIETOMDHICOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N5/c1-13(2)3-4-14-7-12-8(5-10)9(14)6-11/h7H,3-4H2,1-2H3.
What are the key properties of 1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile?
1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile has a molecular weight of 189.22 g/mol, XLogP of 0.19, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(dimethylamino)ethyl]imidazole-4,5-dicarbonitrile is sourced from PubChem (CID 112595521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).