1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide

C10H16N6O3 — CID 107498391

IUPAC1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)N(CC(N)=O)CC(N)=O)c1
InChIInChI=1S/C10H16N6O3/c11-1-2-15-3-7(14-6-15)10(19)16(4-8(12)17)5-9(13)18/h3,6H,1-2,4-5,11H2,(H2,12,17)(H2,13,18)
InChIKeyUOXZRXSUWSXYPF-UHFFFAOYSA-N
MW268.28 g/mol
LogP-2.75
Rot. Bonds7

About 1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide

1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide (PubChem CID 107498391) has the molecular formula C10H16N6O3 and a molecular weight of 268.28 g/mol. Its IUPAC name is 1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide.

Molecular Properties

Compound Name1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide
PubChem CID107498391
Molecular FormulaC10H16N6O3
Molecular Weight268.28 g/mol
Exact Mass268.13
IUPAC Name1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide
SMILESNCCn1cnc(C(=O)N(CC(N)=O)CC(N)=O)c1
InChIInChI=1S/C10H16N6O3/c11-1-2-15-3-7(14-6-15)10(19)16(4-8(12)17)5-9(13)18/h3,6H,1-2,4-5,11H2,(H2,12,17)(H2,13,18)
InChIKeyUOXZRXSUWSXYPF-UHFFFAOYSA-N
XLogP-2.75
TPSA150.33 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.28
LogP ≤ 5-2.75
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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Related Compounds

3-[[1-(2-aminoethyl)imidazole-4-carbonyl]-ethylamino]-2-methylpropanoic acid
CID 107498349
1-(2-aminoethyl)-N-(2,2-dimethylpropyl)-N-methylimidazole-4-carboxamide
CID 107498076
1-(2-aminoethyl)-N-methyl-N-[2-oxo-2-(propan-2-ylamino)ethyl]imidazole-4-carboxamide
CID 107496920
1-(2-aminoethyl)-N-ethyl-N-phenylimidazole-4-carboxamide
CID 107495717
1-(2-aminoethyl)-N-methyl-N-(2-propan-2-yloxyethyl)imidazole-4-carboxamide
CID 107499326
methyl 3-[[1-(2-aminoethyl)imidazole-4-carbonyl]-methylamino]-2-methylpropanoate
CID 107497281
[1-(2-aminoethyl)imidazol-4-yl]-(3-methylthiophen-2-yl)methanone
CID 107501641
N-(2-acetamidoethyl)-1-(2-aminoethyl)imidazole-4-carboxamide
CID 107496025
1-(2-aminoethyl)-N-methyl-N-(2-thiophen-2-ylethyl)imidazole-4-carboxamide
CID 107499201
1-(2-aminoethyl)-N-(4-ethylcyclohexyl)-N-methylimidazole-4-carboxamide
CID 107497382
1-(2-aminoethyl)-N-(2-pyrrol-1-ylethyl)imidazole-4-carboxamide
CID 106391058
1-(2-aminoethyl)-N-propan-2-yl-N-(thiophen-2-ylmethyl)imidazole-4-carboxamide
CID 107497882

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide?
The IUPAC name of 1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide (CID 107498391) is 1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide.
What is the SMILES notation for 1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide?
The canonical SMILES for 1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide is NCCn1cnc(C(=O)N(CC(N)=O)CC(N)=O)c1.
What is the InChIKey of 1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide?
The InChIKey is UOXZRXSUWSXYPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N6O3/c11-1-2-15-3-7(14-6-15)10(19)16(4-8(12)17)5-9(13)18/h3,6H,1-2,4-5,11H2,(H2,12,17)(H2,13,18).
What are the key properties of 1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide?
1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide has a molecular weight of 268.28 g/mol, XLogP of -2.75, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-N,N-bis(2-amino-2-oxoethyl)imidazole-4-carboxamide is sourced from PubChem (CID 107498391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).