1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide

C11H19N5O2 — CID 107499654

IUPAC1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide
SMILESCCNC(=O)CCNC(=O)c1cn(CCN)cn1
InChIInChI=1S/C11H19N5O2/c1-2-13-10(17)3-5-14-11(18)9-7-16(6-4-12)8-15-9/h7-8H,2-6,12H2,1H3,(H,13,17)(H,14,18)
InChIKeyNIWKODSVHKPCJM-UHFFFAOYSA-N
MW253.31 g/mol
LogP-0.90
Rot. Bonds7

About 1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide

1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide (PubChem CID 107499654) has the molecular formula C11H19N5O2 and a molecular weight of 253.31 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide
PubChem CID107499654
Molecular FormulaC11H19N5O2
Molecular Weight253.31 g/mol
Exact Mass253.15
IUPAC Name1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide
SMILESCCNC(=O)CCNC(=O)c1cn(CCN)cn1
InChIInChI=1S/C11H19N5O2/c1-2-13-10(17)3-5-14-11(18)9-7-16(6-4-12)8-15-9/h7-8H,2-6,12H2,1H3,(H,13,17)(H,14,18)
InChIKeyNIWKODSVHKPCJM-UHFFFAOYSA-N
XLogP-0.90
TPSA102.04 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.31
LogP ≤ 5-0.90
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-aminoethyl)-N-[3-oxo-3-(propylamino)propyl]imidazole-4-carboxamide
CID 107498083
N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide
CID 107496025
1-(2-aminoethyl)-N-[2-(methylsulfamoyl)ethyl]imidazole-4-carboxamide
CID 106336759
1-(2-aminoethyl)-N-(2-pyrrol-1-ylethyl)imidazole-4-carboxamide
CID 106391058
1-(2-aminoethyl)-N-(3-methylsulfonylpropyl)imidazole-4-carboxamide
CID 107497378
1-(2-aminoethyl)-N-(2-ethyl-2-hydroxybutyl)imidazole-4-carboxamide
CID 107498968
1-(2-aminoethyl)-N-[4-(2-methoxyethoxy)butyl]imidazole-4-carboxamide
CID 107499702
1-(2-aminoethyl)-N-(3-methylsulfinylbutyl)imidazole-4-carboxamide
CID 107499759
2-[[[1-(2-aminoethyl)imidazole-4-carbonyl]amino]methyl]-2-ethylbutanoic acid
CID 107499474
1-(2-aminoethyl)-N-[(2-ethylphenyl)methyl]imidazole-4-carboxamide
CID 107498921
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-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide (CID 107499654) is 1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide is CCNC(=O)CCNC(=O)c1cn(CCN)cn1.
What is the InChIKey of 1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide?
The InChIKey is NIWKODSVHKPCJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H19N5O2/c1-2-13-10(17)3-5-14-11(18)9-7-16(6-4-12)8-15-9/h7-8H,2-6,12H2,1H3,(H,13,17)(H,14,18).
What are the key properties of 1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide?
1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide has a molecular weight of 253.31 g/mol, XLogP of -0.90, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N-[3-(ethylamino)-3-oxopropyl]imidazole-4-carboxamide is sourced from PubChem (CID 107499654), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).