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

C6H11N3O — CID 10290843

IUPAC2-(2-aminoethyl)-4-methyl-1,4-dihydroimidazol-5-one
SMILESCC1N=C(CCN)NC1=O
InChIInChI=1S/C6H11N3O/c1-4-6(10)9-5(8-4)2-3-7/h4H,2-3,7H2,1H3,(H,8,9,10)
InChIKeyJKRCHZZOZYOCKF-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.75
Rot. Bonds2

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

2-(2-aminoethyl)-4-methyl-1,4-dihydroimidazol-5-one (PubChem CID 10290843) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 2-(2-aminoethyl)-4-methyl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(2-aminoethyl)-4-methyl-1,4-dihydroimidazol-5-one
PubChem CID10290843
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name2-(2-aminoethyl)-4-methyl-1,4-dihydroimidazol-5-one
SMILESCC1N=C(CCN)NC1=O
InChIInChI=1S/C6H11N3O/c1-4-6(10)9-5(8-4)2-3-7/h4H,2-3,7H2,1H3,(H,8,9,10)
InChIKeyJKRCHZZOZYOCKF-UHFFFAOYSA-N
XLogP-0.75
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500141.17
LogP ≤ 5-0.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2-aminoethyl)-4-methyl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(2-aminoethyl)-4-methyl-1,4-dihydroimidazol-5-one (CID 10290843) is 2-(2-aminoethyl)-4-methyl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(2-aminoethyl)-4-methyl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(2-aminoethyl)-4-methyl-1,4-dihydroimidazol-5-one is CC1N=C(CCN)NC1=O.
What is the InChIKey of 2-(2-aminoethyl)-4-methyl-1,4-dihydroimidazol-5-one?
The InChIKey is JKRCHZZOZYOCKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-4-6(10)9-5(8-4)2-3-7/h4H,2-3,7H2,1H3,(H,8,9,10).
What are the key properties of 2-(2-aminoethyl)-4-methyl-1,4-dihydroimidazol-5-one?
2-(2-aminoethyl)-4-methyl-1,4-dihydroimidazol-5-one has a molecular weight of 141.17 g/mol, XLogP of -0.75, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-aminoethyl)-4-methyl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 10290843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).