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

C12H15N3O — CID 79498034

IUPAC4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)phenol
SMILESC=CCN1C(N)=NCC1c1ccc(O)cc1
InChIInChI=1S/C12H15N3O/c1-2-7-15-11(8-14-12(15)13)9-3-5-10(16)6-4-9/h2-6,11,16H,1,7-8H2,(H2,13,14)
InChIKeyGYUCDWSZDFAGLZ-UHFFFAOYSA-N
MW217.27 g/mol
LogP1.25
Rot. Bonds3

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

4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)phenol (PubChem CID 79498034) has the molecular formula C12H15N3O and a molecular weight of 217.27 g/mol. Its IUPAC name is 4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)phenol.

Molecular Properties

Compound Name4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)phenol
PubChem CID79498034
Molecular FormulaC12H15N3O
Molecular Weight217.27 g/mol
Exact Mass217.12
IUPAC Name4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)phenol
SMILESC=CCN1C(N)=NCC1c1ccc(O)cc1
InChIInChI=1S/C12H15N3O/c1-2-7-15-11(8-14-12(15)13)9-3-5-10(16)6-4-9/h2-6,11,16H,1,7-8H2,(H2,13,14)
InChIKeyGYUCDWSZDFAGLZ-UHFFFAOYSA-N
XLogP1.25
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.27
LogP ≤ 51.25
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-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)phenol?
The IUPAC name of 4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)phenol (CID 79498034) is 4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)phenol.
What is the SMILES notation for 4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)phenol?
The canonical SMILES for 4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)phenol is C=CCN1C(N)=NCC1c1ccc(O)cc1.
What is the InChIKey of 4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)phenol?
The InChIKey is GYUCDWSZDFAGLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15N3O/c1-2-7-15-11(8-14-12(15)13)9-3-5-10(16)6-4-9/h2-6,11,16H,1,7-8H2,(H2,13,14).
What are the key properties of 4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)phenol?
4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)phenol has a molecular weight of 217.27 g/mol, XLogP of 1.25, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-3-prop-2-enyl-4,5-dihydroimidazol-4-yl)phenol is sourced from PubChem (CID 79498034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).