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

C13H17N3O — CID 79498226

IUPAC4-(2-amino-5-methyl-1-prop-2-enyl-4H-imidazol-5-yl)phenol
SMILESC=CCN1C(N)=NCC1(C)c1ccc(O)cc1
InChIInChI=1S/C13H17N3O/c1-3-8-16-12(14)15-9-13(16,2)10-4-6-11(17)7-5-10/h3-7,17H,1,8-9H2,2H3,(H2,14,15)
InChIKeyLFUMAKZVBRLRJZ-UHFFFAOYSA-N
MW231.30 g/mol
LogP1.42
Rot. Bonds3

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

4-(2-amino-5-methyl-1-prop-2-enyl-4H-imidazol-5-yl)phenol (PubChem CID 79498226) has the molecular formula C13H17N3O and a molecular weight of 231.30 g/mol. Its IUPAC name is 4-(2-amino-5-methyl-1-prop-2-enyl-4H-imidazol-5-yl)phenol.

Molecular Properties

Compound Name4-(2-amino-5-methyl-1-prop-2-enyl-4H-imidazol-5-yl)phenol
PubChem CID79498226
Molecular FormulaC13H17N3O
Molecular Weight231.30 g/mol
Exact Mass231.14
IUPAC Name4-(2-amino-5-methyl-1-prop-2-enyl-4H-imidazol-5-yl)phenol
SMILESC=CCN1C(N)=NCC1(C)c1ccc(O)cc1
InChIInChI=1S/C13H17N3O/c1-3-8-16-12(14)15-9-13(16,2)10-4-6-11(17)7-5-10/h3-7,17H,1,8-9H2,2H3,(H2,14,15)
InChIKeyLFUMAKZVBRLRJZ-UHFFFAOYSA-N
XLogP1.42
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.30
LogP ≤ 51.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-5-methyl-1-prop-2-enyl-4H-imidazol-5-yl)phenol?
The IUPAC name of 4-(2-amino-5-methyl-1-prop-2-enyl-4H-imidazol-5-yl)phenol (CID 79498226) is 4-(2-amino-5-methyl-1-prop-2-enyl-4H-imidazol-5-yl)phenol.
What is the SMILES notation for 4-(2-amino-5-methyl-1-prop-2-enyl-4H-imidazol-5-yl)phenol?
The canonical SMILES for 4-(2-amino-5-methyl-1-prop-2-enyl-4H-imidazol-5-yl)phenol is C=CCN1C(N)=NCC1(C)c1ccc(O)cc1.
What is the InChIKey of 4-(2-amino-5-methyl-1-prop-2-enyl-4H-imidazol-5-yl)phenol?
The InChIKey is LFUMAKZVBRLRJZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O/c1-3-8-16-12(14)15-9-13(16,2)10-4-6-11(17)7-5-10/h3-7,17H,1,8-9H2,2H3,(H2,14,15).
What are the key properties of 4-(2-amino-5-methyl-1-prop-2-enyl-4H-imidazol-5-yl)phenol?
4-(2-amino-5-methyl-1-prop-2-enyl-4H-imidazol-5-yl)phenol has a molecular weight of 231.30 g/mol, XLogP of 1.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-5-methyl-1-prop-2-enyl-4H-imidazol-5-yl)phenol is sourced from PubChem (CID 79498226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).