N-(cyanomethyl)-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide

C11H17N5O — CID 79985506

IUPACN-(cyanomethyl)-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide
SMILESCCNCCc1cn(CC(=O)NCC#N)cn1
InChIInChI=1S/C11H17N5O/c1-2-13-5-3-10-7-16(9-15-10)8-11(17)14-6-4-12/h7,9,13H,2-3,5-6,8H2,1H3,(H,14,17)
InChIKeyRNODLHSLLNKDOZ-UHFFFAOYSA-N
MW235.29 g/mol
LogP-0.33
Rot. Bonds7

About N-(cyanomethyl)-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide

N-(cyanomethyl)-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide (PubChem CID 79985506) has the molecular formula C11H17N5O and a molecular weight of 235.29 g/mol. Its IUPAC name is N-(cyanomethyl)-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(cyanomethyl)-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide
PubChem CID79985506
Molecular FormulaC11H17N5O
Molecular Weight235.29 g/mol
Exact Mass235.14
IUPAC NameN-(cyanomethyl)-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide
SMILESCCNCCc1cn(CC(=O)NCC#N)cn1
InChIInChI=1S/C11H17N5O/c1-2-13-5-3-10-7-16(9-15-10)8-11(17)14-6-4-12/h7,9,13H,2-3,5-6,8H2,1H3,(H,14,17)
InChIKeyRNODLHSLLNKDOZ-UHFFFAOYSA-N
XLogP-0.33
TPSA82.74 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 5-0.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-tert-butyl-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide
CID 79985501
N-(2-methylpropyl)-2-[4-[2-(propylamino)ethyl]imidazol-1-yl]acetamide
CID 79984949
N-(2-cyanoethyl)-2-[4-(hydroxymethyl)imidazol-1-yl]acetamide
CID 106717415
2-[4-(aminomethyl)imidazol-1-yl]-N-ethylacetamide
CID 106718094
N-ethyl-2-[1-(2-ethylsulfonylethyl)imidazol-4-yl]ethanamine
CID 106729436
N-ethyl-2-[1-(2-methylsulfonylethyl)imidazol-4-yl]ethanamine
CID 79984944
N-(2-methoxyethyl)-2-[4-[(2-methoxyethylamino)methyl]imidazol-1-yl]acetamide
CID 106720510
N-ethyl-2-[1-(2-methylbutyl)imidazol-4-yl]ethanamine
CID 79984937
2-(4-aminoimidazol-1-yl)-N-(2-cyanoethyl)acetamide
CID 165473943
N-cyclopropyl-2-[4-(ethylaminomethyl)imidazol-1-yl]acetamide
CID 106718782
N-ethyl-2-(4-formylimidazol-1-yl)acetamide
CID 106716614
N-ethyl-2-[1-(2-phenylethyl)imidazol-4-yl]ethanamine
CID 79985012

Frequently Asked Questions

What is the IUPAC name of N-(cyanomethyl)-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide?
The IUPAC name of N-(cyanomethyl)-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide (CID 79985506) is N-(cyanomethyl)-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide.
What is the SMILES notation for N-(cyanomethyl)-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide?
The canonical SMILES for N-(cyanomethyl)-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide is CCNCCc1cn(CC(=O)NCC#N)cn1.
What is the InChIKey of N-(cyanomethyl)-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide?
The InChIKey is RNODLHSLLNKDOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O/c1-2-13-5-3-10-7-16(9-15-10)8-11(17)14-6-4-12/h7,9,13H,2-3,5-6,8H2,1H3,(H,14,17).
What are the key properties of N-(cyanomethyl)-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide?
N-(cyanomethyl)-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide has a molecular weight of 235.29 g/mol, XLogP of -0.33, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(cyanomethyl)-2-[4-[2-(ethylamino)ethyl]imidazol-1-yl]acetamide is sourced from PubChem (CID 79985506), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).