1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide

C13H24N4O3 — CID 107499702

IUPAC1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide
SMILESCOCCOCCCCNC(=O)c1cn(CCN)cn1
InChIInChI=1S/C13H24N4O3/c1-19-8-9-20-7-3-2-5-15-13(18)12-10-17(6-4-14)11-16-12/h10-11H,2-9,14H2,1H3,(H,15,18)
InChIKeyNHRFJYHXVQDMNF-UHFFFAOYSA-N
MW284.36 g/mol
LogP0.01
Rot. Bonds11

About 1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide

1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide (PubChem CID 107499702) has the molecular formula C13H24N4O3 and a molecular weight of 284.36 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide
PubChem CID107499702
Molecular FormulaC13H24N4O3
Molecular Weight284.36 g/mol
Exact Mass284.18
IUPAC Name1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide
SMILESCOCCOCCCCNC(=O)c1cn(CCN)cn1
InChIInChI=1S/C13H24N4O3/c1-19-8-9-20-7-3-2-5-15-13(18)12-10-17(6-4-14)11-16-12/h10-11H,2-9,14H2,1H3,(H,15,18)
InChIKeyNHRFJYHXVQDMNF-UHFFFAOYSA-N
XLogP0.01
TPSA91.40 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 50.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide
CID 107496025
1-(2-aminoethyl)-N-(3-methylsulfonylpropyl)imidazole-4-carboxamide
CID 107497378
1-(2-aminoethyl)-N-(2-pyrrol-1-ylethyl)imidazole-4-carboxamide
CID 106391058
1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide
CID 107499654
1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide
CID 107498083
1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide
CID 106336759
1-(2-aminoethyl)-N-[(1-methylpiperidin-4-yl)methyl]imidazole-4-carboxamide
CID 107498035
1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide
CID 107499759
pentyl 1-(2-aminoethyl)imidazole-4-carboxylate
CID 107499310
1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide
CID 107498968
1-(2-aminoethyl)-N-[2-(3,5-difluorophenyl)ethyl]imidazole-4-carboxamide
CID 107498288
1-(2-aminoethyl)-N-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide
CID 106325265

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide (CID 107499702) is 1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide is COCCOCCCCNC(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide?
The InChIKey is NHRFJYHXVQDMNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H24N4O3/c1-19-8-9-20-7-3-2-5-15-13(18)12-10-17(6-4-14)11-16-12/h10-11H,2-9,14H2,1H3,(H,15,18).
What are the key properties of 1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide?
1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 0.01, 11 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide is sourced from PubChem (CID 107499702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).