4-[(4S,5R)-1-ethyl-5-(4-hydroxyphenyl)-4,5-dihydroimidazol-4-yl]phenol

C17H18N2O2 — CID 11414859

IUPAC4-[(4S,5R)-1-ethyl-5-(4-hydroxyphenyl)-4,5-dihydroimidazol-4-yl]phenol
SMILESCCN1C=N[C@@H](c2ccc(O)cc2)[C@H]1c1ccc(O)cc1
InChIInChI=1S/C17H18N2O2/c1-2-19-11-18-16(12-3-7-14(20)8-4-12)17(19)13-5-9-15(21)10-6-13/h3-11,16-17,20-21H,2H2,1H3/t16-,17+/m0/s1
InChIKeyPBZOSBPGQMBNQI-DLBZAZTESA-N
MW282.34 g/mol
LogP3.24
Rot. Bonds3

About 4-[(4S,5R)-1-ethyl-5-(4-hydroxyphenyl)-4,5-dihydroimidazol-4-yl]phenol

4-[(4S,5R)-1-ethyl-5-(4-hydroxyphenyl)-4,5-dihydroimidazol-4-yl]phenol (PubChem CID 11414859) has the molecular formula C17H18N2O2 and a molecular weight of 282.34 g/mol. Its IUPAC name is 4-[(4S,5R)-1-ethyl-5-(4-hydroxyphenyl)-4,5-dihydroimidazol-4-yl]phenol.

Molecular Properties

Compound Name4-[(4S,5R)-1-ethyl-5-(4-hydroxyphenyl)-4,5-dihydroimidazol-4-yl]phenol
PubChem CID11414859
Molecular FormulaC17H18N2O2
Molecular Weight282.34 g/mol
Exact Mass282.14
IUPAC Name4-[(4S,5R)-1-ethyl-5-(4-hydroxyphenyl)-4,5-dihydroimidazol-4-yl]phenol
SMILESCCN1C=N[C@@H](c2ccc(O)cc2)[C@H]1c1ccc(O)cc1
InChIInChI=1S/C17H18N2O2/c1-2-19-11-18-16(12-3-7-14(20)8-4-12)17(19)13-5-9-15(21)10-6-13/h3-11,16-17,20-21H,2H2,1H3/t16-,17+/m0/s1
InChIKeyPBZOSBPGQMBNQI-DLBZAZTESA-N
XLogP3.24
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.34
LogP ≤ 53.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-[(4S,5R)-1-ethyl-5-(4-hydroxyphenyl)-4,5-dihydroimidazol-4-yl]phenol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[(4S,5R)-1-ethyl-5-(4-hydroxyphenyl)-4,5-dihydroimidazol-4-yl]phenol?
The IUPAC name of 4-[(4S,5R)-1-ethyl-5-(4-hydroxyphenyl)-4,5-dihydroimidazol-4-yl]phenol (CID 11414859) is 4-[(4S,5R)-1-ethyl-5-(4-hydroxyphenyl)-4,5-dihydroimidazol-4-yl]phenol.
What is the SMILES notation for 4-[(4S,5R)-1-ethyl-5-(4-hydroxyphenyl)-4,5-dihydroimidazol-4-yl]phenol?
The canonical SMILES for 4-[(4S,5R)-1-ethyl-5-(4-hydroxyphenyl)-4,5-dihydroimidazol-4-yl]phenol is CCN1C=N[C@@H](c2ccc(O)cc2)[C@H]1c1ccc(O)cc1.
What is the InChIKey of 4-[(4S,5R)-1-ethyl-5-(4-hydroxyphenyl)-4,5-dihydroimidazol-4-yl]phenol?
The InChIKey is PBZOSBPGQMBNQI-DLBZAZTESA-N. The full InChI is InChI=1S/C17H18N2O2/c1-2-19-11-18-16(12-3-7-14(20)8-4-12)17(19)13-5-9-15(21)10-6-13/h3-11,16-17,20-21H,2H2,1H3/t16-,17+/m0/s1.
What are the key properties of 4-[(4S,5R)-1-ethyl-5-(4-hydroxyphenyl)-4,5-dihydroimidazol-4-yl]phenol?
4-[(4S,5R)-1-ethyl-5-(4-hydroxyphenyl)-4,5-dihydroimidazol-4-yl]phenol has a molecular weight of 282.34 g/mol, XLogP of 3.24, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4S,5R)-1-ethyl-5-(4-hydroxyphenyl)-4,5-dihydroimidazol-4-yl]phenol is sourced from PubChem (CID 11414859), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).