(2S)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol

C21H28N2O3 — CID 138717773

IUPAC(2S)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol
SMILESCOc1cccc(CCc2ccccc2OC[C@@H](O)CN2CCNC2)c1
InChIInChI=1S/C21H28N2O3/c1-25-20-7-4-5-17(13-20)9-10-18-6-2-3-8-21(18)26-15-19(24)14-23-12-11-22-16-23/h2-8,13,19,22,24H,9-12,14-16H2,1H3/t19-/m0/s1
InChIKeyPEWVOEFNNBSMMO-IBGZPJMESA-N
MW356.47 g/mol
LogP2.08
Rot. Bonds9

About (2S)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol

(2S)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol (PubChem CID 138717773) has the molecular formula C21H28N2O3 and a molecular weight of 356.47 g/mol. Its IUPAC name is (2S)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol.

Molecular Properties

Compound Name(2S)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol
PubChem CID138717773
Molecular FormulaC21H28N2O3
Molecular Weight356.47 g/mol
Exact Mass356.21
IUPAC Name(2S)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol
SMILESCOc1cccc(CCc2ccccc2OC[C@@H](O)CN2CCNC2)c1
InChIInChI=1S/C21H28N2O3/c1-25-20-7-4-5-17(13-20)9-10-18-6-2-3-8-21(18)26-15-19(24)14-23-12-11-22-16-23/h2-8,13,19,22,24H,9-12,14-16H2,1H3/t19-/m0/s1
InChIKeyPEWVOEFNNBSMMO-IBGZPJMESA-N
XLogP2.08
TPSA53.96 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.47
LogP ≤ 52.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2S)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol?
The IUPAC name of (2S)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol (CID 138717773) is (2S)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol.
What is the SMILES notation for (2S)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol?
The canonical SMILES for (2S)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol is COc1cccc(CCc2ccccc2OC[C@@H](O)CN2CCNC2)c1.
What is the InChIKey of (2S)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol?
The InChIKey is PEWVOEFNNBSMMO-IBGZPJMESA-N. The full InChI is InChI=1S/C21H28N2O3/c1-25-20-7-4-5-17(13-20)9-10-18-6-2-3-8-21(18)26-15-19(24)14-23-12-11-22-16-23/h2-8,13,19,22,24H,9-12,14-16H2,1H3/t19-/m0/s1.
What are the key properties of (2S)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol?
(2S)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol has a molecular weight of 356.47 g/mol, XLogP of 2.08, 9 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-imidazolidin-1-yl-3-[2-[2-(3-methoxyphenyl)ethyl]phenoxy]propan-2-ol is sourced from PubChem (CID 138717773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).