4-(2-amino-1-ethyl-5-methyl-4H-imidazol-5-yl)phenol

C12H17N3O — CID 79510490

IUPAC4-(2-amino-1-ethyl-5-methyl-4H-imidazol-5-yl)phenol
SMILESCCN1C(N)=NCC1(C)c1ccc(O)cc1
InChIInChI=1S/C12H17N3O/c1-3-15-11(13)14-8-12(15,2)9-4-6-10(16)7-5-9/h4-7,16H,3,8H2,1-2H3,(H2,13,14)
InChIKeyGTGFEDOMZLWNBL-UHFFFAOYSA-N
MW219.29 g/mol
LogP1.26
Rot. Bonds2

About 4-(2-amino-1-ethyl-5-methyl-4H-imidazol-5-yl)phenol

4-(2-amino-1-ethyl-5-methyl-4H-imidazol-5-yl)phenol (PubChem CID 79510490) has the molecular formula C12H17N3O and a molecular weight of 219.29 g/mol. Its IUPAC name is 4-(2-amino-1-ethyl-5-methyl-4H-imidazol-5-yl)phenol.

Molecular Properties

Compound Name4-(2-amino-1-ethyl-5-methyl-4H-imidazol-5-yl)phenol
PubChem CID79510490
Molecular FormulaC12H17N3O
Molecular Weight219.29 g/mol
Exact Mass219.14
IUPAC Name4-(2-amino-1-ethyl-5-methyl-4H-imidazol-5-yl)phenol
SMILESCCN1C(N)=NCC1(C)c1ccc(O)cc1
InChIInChI=1S/C12H17N3O/c1-3-15-11(13)14-8-12(15,2)9-4-6-10(16)7-5-9/h4-7,16H,3,8H2,1-2H3,(H2,13,14)
InChIKeyGTGFEDOMZLWNBL-UHFFFAOYSA-N
XLogP1.26
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500219.29
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-ethyl-5-methyl-5-(4-methylphenyl)-4H-imidazol-2-amine
CID 79509614
4-[2-amino-1-[2-(dimethylamino)ethyl]-5-methyl-4H-imidazol-5-yl]phenol
CID 79496558
4-(2-amino-5-methyl-1-prop-2-enyl-4H-imidazol-5-yl)phenol
CID 79498226
4-(2-amino-1,5-diethyl-4H-imidazol-5-yl)phenol
CID 79510374
5-(4-methoxyphenyl)-5-methyl-1-propyl-4H-imidazol-2-amine
CID 79510183
5-methyl-1-(2-methylpropyl)-5-(4-propan-2-ylphenyl)-4H-imidazol-2-amine
CID 79498451
5-[2-amino-5-methyl-1-(thiophen-2-ylmethyl)-4H-imidazol-5-yl]benzene-1,3-diol
CID 107707886
5-(4-bromophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79497489
5-(4-chlorophenyl)-5-methyl-1-prop-2-enyl-4H-imidazol-2-amine
CID 79498038
5-(2-bromophenyl)-1-ethyl-5-methyl-4H-imidazol-2-amine
CID 79509285
3-[2-amino-1-(2-methoxyethyl)-5-methyl-4H-imidazol-5-yl]phenol
CID 79505004
5-methyl-1-(2-methylpropyl)-5-[4-(trifluoromethyl)phenyl]-4H-imidazol-2-amine
CID 79498423

Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1-ethyl-5-methyl-4H-imidazol-5-yl)phenol?
The IUPAC name of 4-(2-amino-1-ethyl-5-methyl-4H-imidazol-5-yl)phenol (CID 79510490) is 4-(2-amino-1-ethyl-5-methyl-4H-imidazol-5-yl)phenol.
What is the SMILES notation for 4-(2-amino-1-ethyl-5-methyl-4H-imidazol-5-yl)phenol?
The canonical SMILES for 4-(2-amino-1-ethyl-5-methyl-4H-imidazol-5-yl)phenol is CCN1C(N)=NCC1(C)c1ccc(O)cc1.
What is the InChIKey of 4-(2-amino-1-ethyl-5-methyl-4H-imidazol-5-yl)phenol?
The InChIKey is GTGFEDOMZLWNBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O/c1-3-15-11(13)14-8-12(15,2)9-4-6-10(16)7-5-9/h4-7,16H,3,8H2,1-2H3,(H2,13,14).
What are the key properties of 4-(2-amino-1-ethyl-5-methyl-4H-imidazol-5-yl)phenol?
4-(2-amino-1-ethyl-5-methyl-4H-imidazol-5-yl)phenol has a molecular weight of 219.29 g/mol, XLogP of 1.26, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1-ethyl-5-methyl-4H-imidazol-5-yl)phenol is sourced from PubChem (CID 79510490), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).