N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide

C10H17N5O2 — CID 107496025

IUPACN-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1cn(CCN)cn1
InChIInChI=1S/C10H17N5O2/c1-8(16)12-3-4-13-10(17)9-6-15(5-2-11)7-14-9/h6-7H,2-5,11H2,1H3,(H,12,16)(H,13,17)
InChIKeyCWDTWQAKJDPJRQ-UHFFFAOYSA-N
MW239.28 g/mol
LogP-1.29
Rot. Bonds6

About N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide

N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide (PubChem CID 107496025) has the molecular formula C10H17N5O2 and a molecular weight of 239.28 g/mol. Its IUPAC name is N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide.

Molecular Properties

Compound NameN-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide
PubChem CID107496025
Molecular FormulaC10H17N5O2
Molecular Weight239.28 g/mol
Exact Mass239.14
IUPAC NameN-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide
SMILESCC(=O)NCCNC(=O)c1cn(CCN)cn1
InChIInChI=1S/C10H17N5O2/c1-8(16)12-3-4-13-10(17)9-6-15(5-2-11)7-14-9/h6-7H,2-5,11H2,1H3,(H,12,16)(H,13,17)
InChIKeyCWDTWQAKJDPJRQ-UHFFFAOYSA-N
XLogP-1.29
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.28
LogP ≤ 5-1.29
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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-methylsulfonylpropyl)imidazole-4-carboxamide
CID 107497378
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-(2-thiomorpholin-4-ylethyl)imidazole-4-carboxamide
CID 106325265
1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide
CID 107499702
1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide
CID 107499759
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-acetamidoethyl)imidazole-4-carboxylic acid
CID 107496341
3-[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]-2-hydroxypropanoic acid
CID 107499094

Frequently Asked Questions

What is the IUPAC name of N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide?
The IUPAC name of N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide (CID 107496025) is N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide.
What is the SMILES notation for N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide?
The canonical SMILES for N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide is CC(=O)NCCNC(=O)c1cn(CCN)cn1.
What is the InChIKey of N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide?
The InChIKey is CWDTWQAKJDPJRQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H17N5O2/c1-8(16)12-3-4-13-10(17)9-6-15(5-2-11)7-14-9/h6-7H,2-5,11H2,1H3,(H,12,16)(H,13,17).
What are the key properties of N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide?
N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide has a molecular weight of 239.28 g/mol, XLogP of -1.29, 6 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide is sourced from PubChem (CID 107496025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).