4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)-2,6-dimethylphenol

C13H19N3O — CID 79509280

IUPAC4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)-2,6-dimethylphenol
SMILESCCN1C(N)=NCC1c1cc(C)c(O)c(C)c1
InChIInChI=1S/C13H19N3O/c1-4-16-11(7-15-13(16)14)10-5-8(2)12(17)9(3)6-10/h5-6,11,17H,4,7H2,1-3H3,(H2,14,15)
InChIKeyIDHKKPRZTQJUPD-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.70
Rot. Bonds2

About 4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)-2,6-dimethylphenol

4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)-2,6-dimethylphenol (PubChem CID 79509280) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)-2,6-dimethylphenol.

Molecular Properties

Compound Name4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)-2,6-dimethylphenol
PubChem CID79509280
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)-2,6-dimethylphenol
SMILESCCN1C(N)=NCC1c1cc(C)c(O)c(C)c1
InChIInChI=1S/C13H19N3O/c1-4-16-11(7-15-13(16)14)10-5-8(2)12(17)9(3)6-10/h5-6,11,17H,4,7H2,1-3H3,(H2,14,15)
InChIKeyIDHKKPRZTQJUPD-UHFFFAOYSA-N
XLogP1.70
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)-2,6-dimethylphenol?
The IUPAC name of 4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)-2,6-dimethylphenol (CID 79509280) is 4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)-2,6-dimethylphenol.
What is the SMILES notation for 4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)-2,6-dimethylphenol?
The canonical SMILES for 4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)-2,6-dimethylphenol is CCN1C(N)=NCC1c1cc(C)c(O)c(C)c1.
What is the InChIKey of 4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)-2,6-dimethylphenol?
The InChIKey is IDHKKPRZTQJUPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-4-16-11(7-15-13(16)14)10-5-8(2)12(17)9(3)6-10/h5-6,11,17H,4,7H2,1-3H3,(H2,14,15).
What are the key properties of 4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)-2,6-dimethylphenol?
4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)-2,6-dimethylphenol has a molecular weight of 233.31 g/mol, XLogP of 1.70, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-ethyl-4,5-dihydroimidazol-4-yl)-2,6-dimethylphenol is sourced from PubChem (CID 79509280), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).