3-(2-aminoethyl)-5-methyl-1H-imidazol-2-one

C6H11N3O — CID 96637132

IUPAC3-(2-aminoethyl)-5-methyl-1H-imidazol-2-one
SMILESCc1cn(CCN)c(=O)[nH]1
InChIInChI=1S/C6H11N3O/c1-5-4-9(3-2-7)6(10)8-5/h4H,2-3,7H2,1H3,(H,8,10)
InChIKeyMCZBWDIIHILROB-UHFFFAOYSA-N
MW141.17 g/mol
LogP-0.56
Rot. Bonds2

About 3-(2-aminoethyl)-5-methyl-1H-imidazol-2-one

3-(2-aminoethyl)-5-methyl-1H-imidazol-2-one (PubChem CID 96637132) has the molecular formula C6H11N3O and a molecular weight of 141.17 g/mol. Its IUPAC name is 3-(2-aminoethyl)-5-methyl-1H-imidazol-2-one.

Molecular Properties

Compound Name3-(2-aminoethyl)-5-methyl-1H-imidazol-2-one
PubChem CID96637132
Molecular FormulaC6H11N3O
Molecular Weight141.17 g/mol
Exact Mass141.09
IUPAC Name3-(2-aminoethyl)-5-methyl-1H-imidazol-2-one
SMILESCc1cn(CCN)c(=O)[nH]1
InChIInChI=1S/C6H11N3O/c1-5-4-9(3-2-7)6(10)8-5/h4H,2-3,7H2,1H3,(H,8,10)
InChIKeyMCZBWDIIHILROB-UHFFFAOYSA-N
XLogP-0.56
TPSA63.81 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 ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1,3-dihydro-4-methyl-2H-imidazol-2-one
CID 70935
1,4-dimethyl-2,3-dihydro-1H-imidazol-2-one
CID 22035327
4-ethyl-2,3-dihydro-1H-imidazol-2-one
CID 15567528
5-Methyl-1-(prop-2-yn-1-yl)-1,3-dihydro-2H-imidazol-2-one
CID 10942486
1-Butyl-5-methyl-2-imidazolone
CID 26434
4-(Fluoromethyl)-1,3-dihydroimidazol-2-one
CID 84762078
(4-Methyl-2-oxo-1,3-dihydroimidazol-1-yl)acetamide
CID 19350748
1,5-Dimethyl-1,3-dihydro-2H-imidazol-2-one
CID 19777659
4-Methylideneimidazolidin-2-one
CID 20134153
3-ethenyl-5-ethyl-1H-imidazol-2-one
CID 20324795
1-(2-Methylprop-1-enyl)imidazolidin-2-one
CID 23341847
1-Propenyl-2-oxo-imidazolidine
CID 53887475

Frequently Asked Questions

What is the IUPAC name of 3-(2-aminoethyl)-5-methyl-1H-imidazol-2-one?
The IUPAC name of 3-(2-aminoethyl)-5-methyl-1H-imidazol-2-one (CID 96637132) is 3-(2-aminoethyl)-5-methyl-1H-imidazol-2-one.
What is the SMILES notation for 3-(2-aminoethyl)-5-methyl-1H-imidazol-2-one?
The canonical SMILES for 3-(2-aminoethyl)-5-methyl-1H-imidazol-2-one is Cc1cn(CCN)c(=O)[nH]1.
What is the InChIKey of 3-(2-aminoethyl)-5-methyl-1H-imidazol-2-one?
The InChIKey is MCZBWDIIHILROB-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N3O/c1-5-4-9(3-2-7)6(10)8-5/h4H,2-3,7H2,1H3,(H,8,10).
What are the key properties of 3-(2-aminoethyl)-5-methyl-1H-imidazol-2-one?
3-(2-aminoethyl)-5-methyl-1H-imidazol-2-one has a molecular weight of 141.17 g/mol, XLogP of -0.56, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-aminoethyl)-5-methyl-1H-imidazol-2-one is sourced from PubChem (CID 96637132), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).