4-(2-amino-1,5-diethyl-4H-imidazol-5-yl)phenol

C13H19N3O — CID 79510374

IUPAC4-(2-amino-1,5-diethyl-4H-imidazol-5-yl)phenol
SMILESCCN1C(N)=NCC1(CC)c1ccc(O)cc1
InChIInChI=1S/C13H19N3O/c1-3-13(9-15-12(14)16(13)4-2)10-5-7-11(17)8-6-10/h5-8,17H,3-4,9H2,1-2H3,(H2,14,15)
InChIKeyAFFHVZFTWUNHHX-UHFFFAOYSA-N
MW233.31 g/mol
LogP1.65
Rot. Bonds3

About 4-(2-amino-1,5-diethyl-4H-imidazol-5-yl)phenol

4-(2-amino-1,5-diethyl-4H-imidazol-5-yl)phenol (PubChem CID 79510374) has the molecular formula C13H19N3O and a molecular weight of 233.31 g/mol. Its IUPAC name is 4-(2-amino-1,5-diethyl-4H-imidazol-5-yl)phenol.

Molecular Properties

Compound Name4-(2-amino-1,5-diethyl-4H-imidazol-5-yl)phenol
PubChem CID79510374
Molecular FormulaC13H19N3O
Molecular Weight233.31 g/mol
Exact Mass233.15
IUPAC Name4-(2-amino-1,5-diethyl-4H-imidazol-5-yl)phenol
SMILESCCN1C(N)=NCC1(CC)c1ccc(O)cc1
InChIInChI=1S/C13H19N3O/c1-3-13(9-15-12(14)16(13)4-2)10-5-7-11(17)8-6-10/h5-8,17H,3-4,9H2,1-2H3,(H2,14,15)
InChIKeyAFFHVZFTWUNHHX-UHFFFAOYSA-N
XLogP1.65
TPSA61.85 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500233.31
LogP ≤ 51.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(2-amino-1,5-diethyl-4H-imidazol-5-yl)phenol?
The IUPAC name of 4-(2-amino-1,5-diethyl-4H-imidazol-5-yl)phenol (CID 79510374) is 4-(2-amino-1,5-diethyl-4H-imidazol-5-yl)phenol.
What is the SMILES notation for 4-(2-amino-1,5-diethyl-4H-imidazol-5-yl)phenol?
The canonical SMILES for 4-(2-amino-1,5-diethyl-4H-imidazol-5-yl)phenol is CCN1C(N)=NCC1(CC)c1ccc(O)cc1.
What is the InChIKey of 4-(2-amino-1,5-diethyl-4H-imidazol-5-yl)phenol?
The InChIKey is AFFHVZFTWUNHHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O/c1-3-13(9-15-12(14)16(13)4-2)10-5-7-11(17)8-6-10/h5-8,17H,3-4,9H2,1-2H3,(H2,14,15).
What are the key properties of 4-(2-amino-1,5-diethyl-4H-imidazol-5-yl)phenol?
4-(2-amino-1,5-diethyl-4H-imidazol-5-yl)phenol has a molecular weight of 233.31 g/mol, XLogP of 1.65, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-amino-1,5-diethyl-4H-imidazol-5-yl)phenol is sourced from PubChem (CID 79510374), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).