2-(4-aminoimidazol-1-yl)-N-(2-cyanoethyl)acetamide

C8H11N5O — CID 165473943

IUPAC2-(4-aminoimidazol-1-yl)-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)Cn1cnc(N)c1
InChIInChI=1S/C8H11N5O/c9-2-1-3-11-8(14)5-13-4-7(10)12-6-13/h4,6H,1,3,5,10H2,(H,11,14)
InChIKeyRZKHDAHMOYOBHL-UHFFFAOYSA-N
MW193.21 g/mol
LogP-0.50
Rot. Bonds4

About 2-(4-aminoimidazol-1-yl)-N-(2-cyanoethyl)acetamide

2-(4-aminoimidazol-1-yl)-N-(2-cyanoethyl)acetamide (PubChem CID 165473943) has the molecular formula C8H11N5O and a molecular weight of 193.21 g/mol. Its IUPAC name is 2-(4-aminoimidazol-1-yl)-N-(2-cyanoethyl)acetamide.

Molecular Properties

Compound Name2-(4-aminoimidazol-1-yl)-N-(2-cyanoethyl)acetamide
PubChem CID165473943
Molecular FormulaC8H11N5O
Molecular Weight193.21 g/mol
Exact Mass193.10
IUPAC Name2-(4-aminoimidazol-1-yl)-N-(2-cyanoethyl)acetamide
SMILESN#CCCNC(=O)Cn1cnc(N)c1
InChIInChI=1S/C8H11N5O/c9-2-1-3-11-8(14)5-13-4-7(10)12-6-13/h4,6H,1,3,5,10H2,(H,11,14)
InChIKeyRZKHDAHMOYOBHL-UHFFFAOYSA-N
XLogP-0.50
TPSA96.73 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.21
LogP ≤ 5-0.50
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-(2-cyanoethyl)-2-[4-(hydroxymethyl)imidazol-1-yl]acetamide
CID 106717415
2-[4-(aminomethyl)pyrazol-1-yl]-N-(2-cyanoethyl)acetamide
CID 63253370
methyl 2-(4-aminoimidazol-1-yl)acetate
CID 11789438
ethyl 4-amino-1-[2-(2-cyanoethylamino)-2-oxoethyl]pyrazole-3-carboxylate
CID 107344908
N-(2-cyanoethyl)-2-(3-cyano-1,2,4-triazol-4-yl)acetamide
CID 47138375
N-(2-cyanoethyl)-2-(4-methyl-5-oxo-1,2,4-triazol-1-yl)acetamide
CID 116626783
N-(2-cyanoethyl)-2-(2-oxopyrimidin-1-yl)acetamide
CID 115580749
N-(cyanomethyl)-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide
CID 79985506
2-(5-amino-3-ethyl-2,6-dioxopyrimidin-1-yl)-N-(2-cyanoethyl)acetamide
CID 55239566
N-(2-cyanoethyl)-2-[3-[(propan-2-ylamino)methyl]pyrrol-1-yl]acetamide
CID 66406984
2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide
CID 106718094
2-[2-[(tert-butylamino)methyl]imidazol-1-yl]-N-(2-cyanoethyl)acetamide
CID 62223247

Frequently Asked Questions

What is the IUPAC name of 2-(4-aminoimidazol-1-yl)-N-(2-cyanoethyl)acetamide?
The IUPAC name of 2-(4-aminoimidazol-1-yl)-N-(2-cyanoethyl)acetamide (CID 165473943) is 2-(4-aminoimidazol-1-yl)-N-(2-cyanoethyl)acetamide.
What is the SMILES notation for 2-(4-aminoimidazol-1-yl)-N-(2-cyanoethyl)acetamide?
The canonical SMILES for 2-(4-aminoimidazol-1-yl)-N-(2-cyanoethyl)acetamide is N#CCCNC(=O)Cn1cnc(N)c1.
What is the InChIKey of 2-(4-aminoimidazol-1-yl)-N-(2-cyanoethyl)acetamide?
The InChIKey is RZKHDAHMOYOBHL-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N5O/c9-2-1-3-11-8(14)5-13-4-7(10)12-6-13/h4,6H,1,3,5,10H2,(H,11,14).
What are the key properties of 2-(4-aminoimidazol-1-yl)-N-(2-cyanoethyl)acetamide?
2-(4-aminoimidazol-1-yl)-N-(2-cyanoethyl)acetamide has a molecular weight of 193.21 g/mol, XLogP of -0.50, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-aminoimidazol-1-yl)-N-(2-cyanoethyl)acetamide is sourced from PubChem (CID 165473943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).