3-[[4-(2-aminooxyethyl)-5-benzyl-1,2-dihydroimidazol-3-yl]methyl]phenol

C19H23N3O2 — CID 166698566

IUPAC3-[[4-(2-aminooxyethyl)-5-benzyl-1,2-dihydroimidazol-3-yl]methyl]phenol
SMILESNOCCC1=C(Cc2ccccc2)NCN1Cc1cccc(O)c1
InChIInChI=1S/C19H23N3O2/c20-24-10-9-19-18(12-15-5-2-1-3-6-15)21-14-22(19)13-16-7-4-8-17(23)11-16/h1-8,11,21,23H,9-10,12-14,20H2
InChIKeyDYYRZWBLADJDAR-UHFFFAOYSA-N
MW325.41 g/mol
LogP2.49
Rot. Bonds7

About 3-[[4-(2-aminooxyethyl)-5-benzyl-1,2-dihydroimidazol-3-yl]methyl]phenol

3-[[4-(2-aminooxyethyl)-5-benzyl-1,2-dihydroimidazol-3-yl]methyl]phenol (PubChem CID 166698566) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 3-[[4-(2-aminooxyethyl)-5-benzyl-1,2-dihydroimidazol-3-yl]methyl]phenol.

Molecular Properties

Compound Name3-[[4-(2-aminooxyethyl)-5-benzyl-1,2-dihydroimidazol-3-yl]methyl]phenol
PubChem CID166698566
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name3-[[4-(2-aminooxyethyl)-5-benzyl-1,2-dihydroimidazol-3-yl]methyl]phenol
SMILESNOCCC1=C(Cc2ccccc2)NCN1Cc1cccc(O)c1
InChIInChI=1S/C19H23N3O2/c20-24-10-9-19-18(12-15-5-2-1-3-6-15)21-14-22(19)13-16-7-4-8-17(23)11-16/h1-8,11,21,23H,9-10,12-14,20H2
InChIKeyDYYRZWBLADJDAR-UHFFFAOYSA-N
XLogP2.49
TPSA70.75 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.49
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-[[4-(2-aminooxyethyl)-5-benzyl-1,2-dihydroimidazol-3-yl]methyl]phenol?
The IUPAC name of 3-[[4-(2-aminooxyethyl)-5-benzyl-1,2-dihydroimidazol-3-yl]methyl]phenol (CID 166698566) is 3-[[4-(2-aminooxyethyl)-5-benzyl-1,2-dihydroimidazol-3-yl]methyl]phenol.
What is the SMILES notation for 3-[[4-(2-aminooxyethyl)-5-benzyl-1,2-dihydroimidazol-3-yl]methyl]phenol?
The canonical SMILES for 3-[[4-(2-aminooxyethyl)-5-benzyl-1,2-dihydroimidazol-3-yl]methyl]phenol is NOCCC1=C(Cc2ccccc2)NCN1Cc1cccc(O)c1.
What is the InChIKey of 3-[[4-(2-aminooxyethyl)-5-benzyl-1,2-dihydroimidazol-3-yl]methyl]phenol?
The InChIKey is DYYRZWBLADJDAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2/c20-24-10-9-19-18(12-15-5-2-1-3-6-15)21-14-22(19)13-16-7-4-8-17(23)11-16/h1-8,11,21,23H,9-10,12-14,20H2.
What are the key properties of 3-[[4-(2-aminooxyethyl)-5-benzyl-1,2-dihydroimidazol-3-yl]methyl]phenol?
3-[[4-(2-aminooxyethyl)-5-benzyl-1,2-dihydroimidazol-3-yl]methyl]phenol has a molecular weight of 325.41 g/mol, XLogP of 2.49, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[4-(2-aminooxyethyl)-5-benzyl-1,2-dihydroimidazol-3-yl]methyl]phenol is sourced from PubChem (CID 166698566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).