2-[(1S,2S)-2-(2-ethoxyphenoxy)-1-methoxy-2-phenylethyl]-4,5-dihydro-1H-imidazole

C20H24N2O3 — CID 163084362

IUPAC2-[(1S,2S)-2-(2-ethoxyphenoxy)-1-methoxy-2-phenylethyl]-4,5-dihydro-1H-imidazole
SMILESCCOc1ccccc1O[C@@H](c1ccccc1)[C@@H](OC)C1=NCCN1
InChIInChI=1S/C20H24N2O3/c1-3-24-16-11-7-8-12-17(16)25-18(15-9-5-4-6-10-15)19(23-2)20-21-13-14-22-20/h4-12,18-19H,3,13-14H2,1-2H3,(H,21,22)/t18-,19+/m0/s1
InChIKeyIAGMFLJVQJAXNM-RBUKOAKNSA-N
MW340.42 g/mol
LogP3.22
Rot. Bonds8

About 2-[(1S,2S)-2-(2-ethoxyphenoxy)-1-methoxy-2-phenylethyl]-4,5-dihydro-1H-imidazole

2-[(1S,2S)-2-(2-ethoxyphenoxy)-1-methoxy-2-phenylethyl]-4,5-dihydro-1H-imidazole (PubChem CID 163084362) has the molecular formula C20H24N2O3 and a molecular weight of 340.42 g/mol. Its IUPAC name is 2-[(1S,2S)-2-(2-ethoxyphenoxy)-1-methoxy-2-phenylethyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[(1S,2S)-2-(2-ethoxyphenoxy)-1-methoxy-2-phenylethyl]-4,5-dihydro-1H-imidazole
PubChem CID163084362
Molecular FormulaC20H24N2O3
Molecular Weight340.42 g/mol
Exact Mass340.18
IUPAC Name2-[(1S,2S)-2-(2-ethoxyphenoxy)-1-methoxy-2-phenylethyl]-4,5-dihydro-1H-imidazole
SMILESCCOc1ccccc1O[C@@H](c1ccccc1)[C@@H](OC)C1=NCCN1
InChIInChI=1S/C20H24N2O3/c1-3-24-16-11-7-8-12-17(16)25-18(15-9-5-4-6-10-15)19(23-2)20-21-13-14-22-20/h4-12,18-19H,3,13-14H2,1-2H3,(H,21,22)/t18-,19+/m0/s1
InChIKeyIAGMFLJVQJAXNM-RBUKOAKNSA-N
XLogP3.22
TPSA52.08 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.42
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[(1S,2S)-2-(2-ethoxyphenoxy)-1-methoxy-2-phenylethyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[(1S,2S)-2-(2-ethoxyphenoxy)-1-methoxy-2-phenylethyl]-4,5-dihydro-1H-imidazole (CID 163084362) is 2-[(1S,2S)-2-(2-ethoxyphenoxy)-1-methoxy-2-phenylethyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[(1S,2S)-2-(2-ethoxyphenoxy)-1-methoxy-2-phenylethyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[(1S,2S)-2-(2-ethoxyphenoxy)-1-methoxy-2-phenylethyl]-4,5-dihydro-1H-imidazole is CCOc1ccccc1O[C@@H](c1ccccc1)[C@@H](OC)C1=NCCN1.
What is the InChIKey of 2-[(1S,2S)-2-(2-ethoxyphenoxy)-1-methoxy-2-phenylethyl]-4,5-dihydro-1H-imidazole?
The InChIKey is IAGMFLJVQJAXNM-RBUKOAKNSA-N. The full InChI is InChI=1S/C20H24N2O3/c1-3-24-16-11-7-8-12-17(16)25-18(15-9-5-4-6-10-15)19(23-2)20-21-13-14-22-20/h4-12,18-19H,3,13-14H2,1-2H3,(H,21,22)/t18-,19+/m0/s1.
What are the key properties of 2-[(1S,2S)-2-(2-ethoxyphenoxy)-1-methoxy-2-phenylethyl]-4,5-dihydro-1H-imidazole?
2-[(1S,2S)-2-(2-ethoxyphenoxy)-1-methoxy-2-phenylethyl]-4,5-dihydro-1H-imidazole has a molecular weight of 340.42 g/mol, XLogP of 3.22, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(1S,2S)-2-(2-ethoxyphenoxy)-1-methoxy-2-phenylethyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 163084362), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).