3-(2-amino-3-butan-2-yl-4,5-dihydroimidazol-4-yl)phenol

C13H19N3O — CID 79505769

IUPAC3-(2-amino-3-butan-2-yl-4,5-dihydroimidazol-4-yl)phenol
SMILESCCC(C)N1C(N)=NCC1c1cccc(O)c1
InChIInChI=1S/C13H19N3O/c1-3-9(2)16-12(8-15-13(16)14)10-5-4-6-11(17)7-10/h4-7,9,12,17H,3,8H2,1-2H3,(H2,14,15)
InChIKeyQJJGFUOPVASOFB-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.86
Rot. Bonds3

About 3-(2-amino-3-butan-2-yl-4,5-dihydroimidazol-4-yl)phenol

3-(2-amino-3-butan-2-yl-4,5-dihydroimidazol-4-yl)phenol (PubChem CID 79505769) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 3-(2-amino-3-butan-2-yl-4,5-dihydroimidazol-4-yl)phenol.

Molecular Properties

Compound Name3-(2-amino-3-butan-2-yl-4,5-dihydroimidazol-4-yl)phenol
PubChem CID79505769
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name3-(2-amino-3-butan-2-yl-4,5-dihydroimidazol-4-yl)phenol
SMILESCCC(C)N1C(N)=NCC1c1cccc(O)c1
InChIInChI=1S/C13H19N3O/c1-3-9(2)16-12(8-15-13(16)14)10-5-4-6-11(17)7-10/h4-7,9,12,17H,3,8H2,1-2H3,(H2,14,15)
InChIKeyQJJGFUOPVASOFB-UHFFFAOYSA-N
XLogP1.86
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2-amino-3-butan-2-yl-4,5-dihydroimidazol-4-yl)phenol?
The IUPAC name of 3-(2-amino-3-butan-2-yl-4,5-dihydroimidazol-4-yl)phenol (CID 79505769) is 3-(2-amino-3-butan-2-yl-4,5-dihydroimidazol-4-yl)phenol.
What is the SMILES notation for 3-(2-amino-3-butan-2-yl-4,5-dihydroimidazol-4-yl)phenol?
The canonical SMILES for 3-(2-amino-3-butan-2-yl-4,5-dihydroimidazol-4-yl)phenol is CCC(C)N1C(N)=NCC1c1cccc(O)c1.
What is the InChIKey of 3-(2-amino-3-butan-2-yl-4,5-dihydroimidazol-4-yl)phenol?
The InChIKey is QJJGFUOPVASOFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-9(2)16-12(8-15-13(16)14)10-5-4-6-11(17)7-10/h4-7,9,12,17H,3,8H2,1-2H3,(H2,14,15).
What are the key properties of 3-(2-amino-3-butan-2-yl-4,5-dihydroimidazol-4-yl)phenol?
3-(2-amino-3-butan-2-yl-4,5-dihydroimidazol-4-yl)phenol has a molecular weight of 233.31 g/mol, XLogP of 1.86, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-amino-3-butan-2-yl-4,5-dihydroimidazol-4-yl)phenol is sourced from PubChem (CID 79505769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).