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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Related Compounds

4-[[(4R)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682607
2,6-ditert-butyl-4-(4,5-dihydro-1H-imidazol-2-yl)phenol
CID 136135852
4-[[(4R)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682597
4-[[(4S)-2-amino-3-(4-cyclohexylbutyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682610
4-[[(4S)-2-amino-3-(cyclohexylmethyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682611
4-[[(4R)-2-amino-3-(4-cyclohexylbutyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682618
4-[[(4R)-2-amino-3-butyl-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682619
4-[[(4S)-2-amino-3-(2,2-dimethylpropyl)-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16682620
4-[[(4S)-2-amino-3-butyl-4,5-dihydroimidazol-4-yl]methyl]phenol
CID 16745778
4-[(4S,5R)-1-ethyl-5-(4-hydroxyphenyl)-4,5-dihydroimidazol-4-yl]phenol
CID 11414859
4-tert-butyl-2-[(4,5-dihydro-1H-imidazol-2-ylamino)methyl]-6-iodophenol
CID 12761831
4-[(4R,5S)-4-(4-hydroxyphenyl)-2-methyl-4,5-dihydro-1H-imidazol-5-yl]phenol
CID 44383931

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).