4-(2-aminoethyl)-5-tert-butyl-1,3-dihydroimidazol-2-one

C9H17N3O — CID 84732546

IUPAC4-(2-aminoethyl)-5-tert-butyl-1,3-dihydroimidazol-2-one
SMILESCC(C)(C)c1[nH]c(=O)[nH]c1CCN
InChIInChI=1S/C9H17N3O/c1-9(2,3)7-6(4-5-10)11-8(13)12-7/h4-5,10H2,1-3H3,(H2,11,12,13)
InChIKeyUGNUVPIJFHERMI-UHFFFAOYSA-N
MW183.25 g/mol
LogP0.50
Rot. Bonds2

About 4-(2-aminoethyl)-5-tert-butyl-1,3-dihydroimidazol-2-one

4-(2-aminoethyl)-5-tert-butyl-1,3-dihydroimidazol-2-one (PubChem CID 84732546) has the molecular formula C9H17N3O and a molecular weight of 183.25 g/mol. Its IUPAC name is 4-(2-aminoethyl)-5-tert-butyl-1,3-dihydroimidazol-2-one.

Molecular Properties

Compound Name4-(2-aminoethyl)-5-tert-butyl-1,3-dihydroimidazol-2-one
PubChem CID84732546
Molecular FormulaC9H17N3O
Molecular Weight183.25 g/mol
Exact Mass183.14
IUPAC Name4-(2-aminoethyl)-5-tert-butyl-1,3-dihydroimidazol-2-one
SMILESCC(C)(C)c1[nH]c(=O)[nH]c1CCN
InChIInChI=1S/C9H17N3O/c1-9(2,3)7-6(4-5-10)11-8(13)12-7/h4-5,10H2,1-3H3,(H2,11,12,13)
InChIKeyUGNUVPIJFHERMI-UHFFFAOYSA-N
XLogP0.50
TPSA74.67 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500183.25
LogP ≤ 50.50
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-(2-aminoethyl)-5-tert-butyl-1,3-dihydroimidazol-2-one?
The IUPAC name of 4-(2-aminoethyl)-5-tert-butyl-1,3-dihydroimidazol-2-one (CID 84732546) is 4-(2-aminoethyl)-5-tert-butyl-1,3-dihydroimidazol-2-one.
What is the SMILES notation for 4-(2-aminoethyl)-5-tert-butyl-1,3-dihydroimidazol-2-one?
The canonical SMILES for 4-(2-aminoethyl)-5-tert-butyl-1,3-dihydroimidazol-2-one is CC(C)(C)c1[nH]c(=O)[nH]c1CCN.
What is the InChIKey of 4-(2-aminoethyl)-5-tert-butyl-1,3-dihydroimidazol-2-one?
The InChIKey is UGNUVPIJFHERMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H17N3O/c1-9(2,3)7-6(4-5-10)11-8(13)12-7/h4-5,10H2,1-3H3,(H2,11,12,13).
What are the key properties of 4-(2-aminoethyl)-5-tert-butyl-1,3-dihydroimidazol-2-one?
4-(2-aminoethyl)-5-tert-butyl-1,3-dihydroimidazol-2-one has a molecular weight of 183.25 g/mol, XLogP of 0.50, 2 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-aminoethyl)-5-tert-butyl-1,3-dihydroimidazol-2-one is sourced from PubChem (CID 84732546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).