4-[4,5-dihydro-1H-imidazol-2-yl(dimethylamino)methyl]-2-methoxyphenol

C13H19N3O2 — CID 82023579

IUPAC4-[4,5-dihydro-1H-imidazol-2-yl(dimethylamino)methyl]-2-methoxyphenol
SMILESCOc1cc(C(C2=NCCN2)N(C)C)ccc1O
InChIInChI=1S/C13H19N3O2/c1-16(2)12(13-14-6-7-15-13)9-4-5-10(17)11(8-9)18-3/h4-5,8,12,17H,6-7H2,1-3H3,(H,14,15)
InChIKeyPJORSCLXNGSSRS-UHFFFAOYSA-N
MW249.31 g/mol
LogP1.01
Rot. Bonds4

About 4-[4,5-dihydro-1H-imidazol-2-yl(dimethylamino)methyl]-2-methoxyphenol

4-[4,5-dihydro-1H-imidazol-2-yl(dimethylamino)methyl]-2-methoxyphenol (PubChem CID 82023579) has the molecular formula C13H19N3O2 and a molecular weight of 249.31 g/mol. Its IUPAC name is 4-[4,5-dihydro-1H-imidazol-2-yl(dimethylamino)methyl]-2-methoxyphenol.

Molecular Properties

Compound Name4-[4,5-dihydro-1H-imidazol-2-yl(dimethylamino)methyl]-2-methoxyphenol
PubChem CID82023579
Molecular FormulaC13H19N3O2
Molecular Weight249.31 g/mol
Exact Mass249.15
IUPAC Name4-[4,5-dihydro-1H-imidazol-2-yl(dimethylamino)methyl]-2-methoxyphenol
SMILESCOc1cc(C(C2=NCCN2)N(C)C)ccc1O
InChIInChI=1S/C13H19N3O2/c1-16(2)12(13-14-6-7-15-13)9-4-5-10(17)11(8-9)18-3/h4-5,8,12,17H,6-7H2,1-3H3,(H,14,15)
InChIKeyPJORSCLXNGSSRS-UHFFFAOYSA-N
XLogP1.01
TPSA57.09 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 ≤ 51.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[4,5-dihydro-1H-imidazol-2-yl(dimethylamino)methyl]-2-methoxyphenol?
The IUPAC name of 4-[4,5-dihydro-1H-imidazol-2-yl(dimethylamino)methyl]-2-methoxyphenol (CID 82023579) is 4-[4,5-dihydro-1H-imidazol-2-yl(dimethylamino)methyl]-2-methoxyphenol.
What is the SMILES notation for 4-[4,5-dihydro-1H-imidazol-2-yl(dimethylamino)methyl]-2-methoxyphenol?
The canonical SMILES for 4-[4,5-dihydro-1H-imidazol-2-yl(dimethylamino)methyl]-2-methoxyphenol is COc1cc(C(C2=NCCN2)N(C)C)ccc1O.
What is the InChIKey of 4-[4,5-dihydro-1H-imidazol-2-yl(dimethylamino)methyl]-2-methoxyphenol?
The InChIKey is PJORSCLXNGSSRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O2/c1-16(2)12(13-14-6-7-15-13)9-4-5-10(17)11(8-9)18-3/h4-5,8,12,17H,6-7H2,1-3H3,(H,14,15).
What are the key properties of 4-[4,5-dihydro-1H-imidazol-2-yl(dimethylamino)methyl]-2-methoxyphenol?
4-[4,5-dihydro-1H-imidazol-2-yl(dimethylamino)methyl]-2-methoxyphenol has a molecular weight of 249.31 g/mol, XLogP of 1.01, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-dihydro-1H-imidazol-2-yl(dimethylamino)methyl]-2-methoxyphenol is sourced from PubChem (CID 82023579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).