4-[(4R,5S)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol

C19H23N3O2 — CID 11338484

IUPAC4-[(4R,5S)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol
SMILESCN(C)CCOc1ccc([C@H]2N=CN[C@H]2c2ccc(O)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-22(2)11-12-24-17-9-5-15(6-10-17)19-18(20-13-21-19)14-3-7-16(23)8-4-14/h3-10,13,18-19,23H,11-12H2,1-2H3,(H,20,21)/t18-,19+/m0/s1
InChIKeyMKAGGRDFBBIJPL-RBUKOAKNSA-N
MW325.41 g/mol
LogP2.75
Rot. Bonds6

About 4-[(4R,5S)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol

4-[(4R,5S)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol (PubChem CID 11338484) has the molecular formula C19H23N3O2 and a molecular weight of 325.41 g/mol. Its IUPAC name is 4-[(4R,5S)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol.

Molecular Properties

Compound Name4-[(4R,5S)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol
PubChem CID11338484
Molecular FormulaC19H23N3O2
Molecular Weight325.41 g/mol
Exact Mass325.18
IUPAC Name4-[(4R,5S)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol
SMILESCN(C)CCOc1ccc([C@H]2N=CN[C@H]2c2ccc(O)cc2)cc1
InChIInChI=1S/C19H23N3O2/c1-22(2)11-12-24-17-9-5-15(6-10-17)19-18(20-13-21-19)14-3-7-16(23)8-4-14/h3-10,13,18-19,23H,11-12H2,1-2H3,(H,20,21)/t18-,19+/m0/s1
InChIKeyMKAGGRDFBBIJPL-RBUKOAKNSA-N
XLogP2.75
TPSA57.09 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500325.41
LogP ≤ 52.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(4R,5S)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol?
The IUPAC name of 4-[(4R,5S)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol (CID 11338484) is 4-[(4R,5S)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol.
What is the SMILES notation for 4-[(4R,5S)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol?
The canonical SMILES for 4-[(4R,5S)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol is CN(C)CCOc1ccc([C@H]2N=CN[C@H]2c2ccc(O)cc2)cc1.
What is the InChIKey of 4-[(4R,5S)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol?
The InChIKey is MKAGGRDFBBIJPL-RBUKOAKNSA-N. The full InChI is InChI=1S/C19H23N3O2/c1-22(2)11-12-24-17-9-5-15(6-10-17)19-18(20-13-21-19)14-3-7-16(23)8-4-14/h3-10,13,18-19,23H,11-12H2,1-2H3,(H,20,21)/t18-,19+/m0/s1.
What are the key properties of 4-[(4R,5S)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol?
4-[(4R,5S)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol has a molecular weight of 325.41 g/mol, XLogP of 2.75, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4R,5S)-4-[4-[2-(dimethylamino)ethoxy]phenyl]-4,5-dihydro-1H-imidazol-5-yl]phenol is sourced from PubChem (CID 11338484), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).