3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol;1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2R)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol

C62H82N6O9 — CID 167610918

IUPAC3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol;1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2R)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol
SMILESCOc1cccc(CCc2ccccc2OCC(O)CN2CCNC2)c1.COc1cccc(CCc2ccccc2OC[C@H](O)CN2CCNC2)c1.Oc1cccc(CCc2ccccc2OC[C@@H](O)CN2CCNC2)c1
InChIInChI=1S/2C21H28N2O3.C20H26N2O3/c2*1-25-20-7-4-5-17(13-20)9-10-18-6-2-3-8-21(18)26-15-19(24)14-23-12-11-22-16-23;23-18-6-3-4-16(12-18)8-9-17-5-1-2-7-20(17)25-14-19(24)13-22-11-10-21-15-22/h2*2-8,13,19,22,24H,9-12,14-16H2,1H3;1-7,12,19,21,23-24H,8-11,13-15H2/t19-;;19-/m1.0/s1
InChIKeyLAOIEHXSFQIQTK-YQYNTNBTSA-N
MW1055.37 g/mol
LogP5.95
Rot. Bonds26

About 3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol;1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2R)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol

3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol;1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2R)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol (PubChem CID 167610918) has the molecular formula C62H82N6O9 and a molecular weight of 1055.37 g/mol. Its IUPAC name is 3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol;1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2R)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol;1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2R)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol
PubChem CID167610918
Molecular FormulaC62H82N6O9
Molecular Weight1055.37 g/mol
Exact Mass1054.61
IUPAC Name3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol;1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2R)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol
SMILESCOc1cccc(CCc2ccccc2OCC(O)CN2CCNC2)c1.COc1cccc(CCc2ccccc2OC[C@H](O)CN2CCNC2)c1.Oc1cccc(CCc2ccccc2OC[C@@H](O)CN2CCNC2)c1
InChIInChI=1S/2C21H28N2O3.C20H26N2O3/c2*1-25-20-7-4-5-17(13-20)9-10-18-6-2-3-8-21(18)26-15-19(24)14-23-12-11-22-16-23;23-18-6-3-4-16(12-18)8-9-17-5-1-2-7-20(17)25-14-19(24)13-22-11-10-21-15-22/h2*2-8,13,19,22,24H,9-12,14-16H2,1H3;1-7,12,19,21,23-24H,8-11,13-15H2/t19-;;19-/m1.0/s1
InChIKeyLAOIEHXSFQIQTK-YQYNTNBTSA-N
XLogP5.95
TPSA172.88 Ų
H-Bond Donors7
H-Bond Acceptors15
Rotatable Bonds26
Heavy Atoms77
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001055.37
LogP ≤ 55.95
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1015

Analyze 3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol;1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2R)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol with MolForge

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

Launch Full Analysis

Related Compounds

(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperazin-1-ylpropan-2-ol
CID 159443528
3-[2-[2-[(2S)-2-hydroxy-3-(1,3-oxazolidin-3-yl)propoxy]phenyl]ethyl]phenol
CID 146438414
(2S)-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propane-1,2-diol
CID 134296045
(2R)-1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-morpholin-4-ylpropan-2-ol
CID 157064846
1-[2-[2-(4-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-ol
CID 158523220
4-[1-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-pyrazolidin-1-ylpropan-2-yl]oxy-4-oxobutanoic acid
CID 138717287
4-[[2-hydroxy-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propyl]-methylamino]-4-oxobutanoic acid
CID 169437800
3-[1-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-pyrrolidin-1-ylpropan-2-yl]oxypropanoic acid
CID 23314070
methyl 3-(2-hydroxy-3-imidazolidin-1-ylpropoxy)benzoate
CID 118411220
2-[4-[4-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]butyl]piperazin-1-yl]ethanol
CID 20544975
4-[1-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-piperidin-1-ylpropan-2-yl]oxy-4-oxobutanoic acid
CID 159948148
4-[1-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]-3-(1,2,4-thiadiazolidin-4-yl)propan-2-yl]oxy-4-oxobutanoic acid
CID 138717402

Frequently Asked Questions

What is the IUPAC name of 3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol;1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2R)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol?
The IUPAC name of 3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol;1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2R)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol (CID 167610918) is 3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol;1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2R)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol.
What is the SMILES notation for 3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol;1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2R)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol?
The canonical SMILES for 3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol;1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2R)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol is COc1cccc(CCc2ccccc2OCC(O)CN2CCNC2)c1.COc1cccc(CCc2ccccc2OC[C@H](O)CN2CCNC2)c1.Oc1cccc(CCc2ccccc2OC[C@@H](O)CN2CCNC2)c1.
What is the InChIKey of 3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol;1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2R)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol?
The InChIKey is LAOIEHXSFQIQTK-YQYNTNBTSA-N. The full InChI is InChI=1S/2C21H28N2O3.C20H26N2O3/c2*1-25-20-7-4-5-17(13-20)9-10-18-6-2-3-8-21(18)26-15-19(24)14-23-12-11-22-16-23;23-18-6-3-4-16(12-18)8-9-17-5-1-2-7-20(17)25-14-19(24)13-22-11-10-21-15-22/h2*2-8,13,19,22,24H,9-12,14-16H2,1H3;1-7,12,19,21,23-24H,8-11,13-15H2/t19-;;19-/m1.0/s1.
What are the key properties of 3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol;1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2R)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol?
3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol;1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2R)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol has a molecular weight of 1055.37 g/mol, XLogP of 5.95, 26 rotatable bonds, 7 hydrogen bond donors, and 15 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[2-[(2S)-2-hydroxy-3-imidazolidin-1-ylpropoxy]phenyl]ethyl]phenol;1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol;(2R)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol is sourced from PubChem (CID 167610918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).