3-[2-amino-1-(2-methoxyethyl)-5-methyl-4H-imidazol-5-yl]phenol

C13H19N3O2 — CID 79505004

IUPAC3-[2-amino-1-(2-methoxyethyl)-5-methyl-4H-imidazol-5-yl]phenol
SMILESCOCCN1C(N)=NCC1(C)c1cccc(O)c1
InChIInChI=1S/C13H19N3O2/c1-13(10-4-3-5-11(17)8-10)9-15-12(14)16(13)6-7-18-2/h3-5,8,17H,6-7,9H2,1-2H3,(H2,14,15)
InChIKeyIETVOSPUIPLGJF-UHFFFAOYSA-N
MW249.31 g/mol
LogP0.88
Rot. Bonds4

About 3-[2-amino-1-(2-methoxyethyl)-5-methyl-4H-imidazol-5-yl]phenol

3-[2-amino-1-(2-methoxyethyl)-5-methyl-4H-imidazol-5-yl]phenol (PubChem CID 79505004) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 3-[2-amino-1-(2-methoxyethyl)-5-methyl-4H-imidazol-5-yl]phenol.

Molecular Properties

Compound Name3-[2-amino-1-(2-methoxyethyl)-5-methyl-4H-imidazol-5-yl]phenol
PubChem CID79505004
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name3-[2-amino-1-(2-methoxyethyl)-5-methyl-4H-imidazol-5-yl]phenol
SMILESCOCCN1C(N)=NCC1(C)c1cccc(O)c1
InChIInChI=1S/C13H19N3O2/c1-13(10-4-3-5-11(17)8-10)9-15-12(14)16(13)6-7-18-2/h3-5,8,17H,6-7,9H2,1-2H3,(H2,14,15)
InChIKeyIETVOSPUIPLGJF-UHFFFAOYSA-N
XLogP0.88
TPSA71.08 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.31
LogP ≤ 50.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[2-amino-1-(2-methoxyethyl)-5-methyl-4H-imidazol-5-yl]phenol?
The IUPAC name of 3-[2-amino-1-(2-methoxyethyl)-5-methyl-4H-imidazol-5-yl]phenol (CID 79505004) is 3-[2-amino-1-(2-methoxyethyl)-5-methyl-4H-imidazol-5-yl]phenol.
What is the SMILES notation for 3-[2-amino-1-(2-methoxyethyl)-5-methyl-4H-imidazol-5-yl]phenol?
The canonical SMILES for 3-[2-amino-1-(2-methoxyethyl)-5-methyl-4H-imidazol-5-yl]phenol is COCCN1C(N)=NCC1(C)c1cccc(O)c1.
What is the InChIKey of 3-[2-amino-1-(2-methoxyethyl)-5-methyl-4H-imidazol-5-yl]phenol?
The InChIKey is IETVOSPUIPLGJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-13(10-4-3-5-11(17)8-10)9-15-12(14)16(13)6-7-18-2/h3-5,8,17H,6-7,9H2,1-2H3,(H2,14,15).
What are the key properties of 3-[2-amino-1-(2-methoxyethyl)-5-methyl-4H-imidazol-5-yl]phenol?
3-[2-amino-1-(2-methoxyethyl)-5-methyl-4H-imidazol-5-yl]phenol has a molecular weight of 249.31 g/mol, XLogP of 0.88, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-amino-1-(2-methoxyethyl)-5-methyl-4H-imidazol-5-yl]phenol is sourced from PubChem (CID 79505004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).