2-(2-aminoethyl)-1,4-dihydroimidazol-5-one

C5H9N3O — CID 66718938

IUPAC2-(2-aminoethyl)-1,4-dihydroimidazol-5-one
SMILESNCCC1=NCC(=O)N1
InChIInChI=1S/C5H9N3O/c6-2-1-4-7-3-5(9)8-4/h1-3,6H2,(H,7,8,9)
InChIKeyXCHQZQKWAPRDEC-UHFFFAOYSA-N
MW127.15 g/mol
LogP-1.14
Rot. Bonds2

About 2-(2-aminoethyl)-1,4-dihydroimidazol-5-one

2-(2-aminoethyl)-1,4-dihydroimidazol-5-one (PubChem CID 66718938) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2-(2-aminoethyl)-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-1,4-dihydroimidazol-5-one
PubChem CID66718938
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2-(2-aminoethyl)-1,4-dihydroimidazol-5-one
SMILESNCCC1=NCC(=O)N1
InChIInChI=1S/C5H9N3O/c6-2-1-4-7-3-5(9)8-4/h1-3,6H2,(H,7,8,9)
InChIKeyXCHQZQKWAPRDEC-UHFFFAOYSA-N
XLogP-1.14
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-1.14
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(2-aminoethyl)-1,4-dihydroimidazol-5-one (CID 66718938) is 2-(2-aminoethyl)-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(2-aminoethyl)-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(2-aminoethyl)-1,4-dihydroimidazol-5-one is NCCC1=NCC(=O)N1.
What is the InChIKey of 2-(2-aminoethyl)-1,4-dihydroimidazol-5-one?
The InChIKey is XCHQZQKWAPRDEC-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c6-2-1-4-7-3-5(9)8-4/h1-3,6H2,(H,7,8,9).
What are the key properties of 2-(2-aminoethyl)-1,4-dihydroimidazol-5-one?
2-(2-aminoethyl)-1,4-dihydroimidazol-5-one has a molecular weight of 127.15 g/mol, XLogP of -1.14, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 66718938), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).