1-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-phenyl-5-(2-phenylethyl)imidazole

C23H26N2O2 — CID 50970568

IUPAC1-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-phenyl-5-(2-phenylethyl)imidazole
SMILESCCO[C@H]1COC[C@@H]1n1cnc(-c2ccccc2)c1CCc1ccccc1
InChIInChI=1S/C23H26N2O2/c1-2-27-22-16-26-15-21(22)25-17-24-23(19-11-7-4-8-12-19)20(25)14-13-18-9-5-3-6-10-18/h3-12,17,21-22H,2,13-16H2,1H3/t21-,22-/m0/s1
InChIKeyFDTITAIEJPQSNL-VXKWHMMOSA-N
MW362.47 g/mol
LogP4.31
Rot. Bonds7

About 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-phenyl-5-(2-phenylethyl)imidazole

1-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-phenyl-5-(2-phenylethyl)imidazole (PubChem CID 50970568) has the molecular formula C23H26N2O2 and a molecular weight of 362.47 g/mol. Its IUPAC name is 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-phenyl-5-(2-phenylethyl)imidazole.

Molecular Properties

Compound Name1-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-phenyl-5-(2-phenylethyl)imidazole
PubChem CID50970568
Molecular FormulaC23H26N2O2
Molecular Weight362.47 g/mol
Exact Mass362.20
IUPAC Name1-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-phenyl-5-(2-phenylethyl)imidazole
SMILESCCO[C@H]1COC[C@@H]1n1cnc(-c2ccccc2)c1CCc1ccccc1
InChIInChI=1S/C23H26N2O2/c1-2-27-22-16-26-15-21(22)25-17-24-23(19-11-7-4-8-12-19)20(25)14-13-18-9-5-3-6-10-18/h3-12,17,21-22H,2,13-16H2,1H3/t21-,22-/m0/s1
InChIKeyFDTITAIEJPQSNL-VXKWHMMOSA-N
XLogP4.31
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.47
LogP ≤ 54.31
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-phenyl-5-(2-phenylethyl)imidazole?
The IUPAC name of 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-phenyl-5-(2-phenylethyl)imidazole (CID 50970568) is 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-phenyl-5-(2-phenylethyl)imidazole.
What is the SMILES notation for 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-phenyl-5-(2-phenylethyl)imidazole?
The canonical SMILES for 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-phenyl-5-(2-phenylethyl)imidazole is CCO[C@H]1COC[C@@H]1n1cnc(-c2ccccc2)c1CCc1ccccc1.
What is the InChIKey of 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-phenyl-5-(2-phenylethyl)imidazole?
The InChIKey is FDTITAIEJPQSNL-VXKWHMMOSA-N. The full InChI is InChI=1S/C23H26N2O2/c1-2-27-22-16-26-15-21(22)25-17-24-23(19-11-7-4-8-12-19)20(25)14-13-18-9-5-3-6-10-18/h3-12,17,21-22H,2,13-16H2,1H3/t21-,22-/m0/s1.
What are the key properties of 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-phenyl-5-(2-phenylethyl)imidazole?
1-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-phenyl-5-(2-phenylethyl)imidazole has a molecular weight of 362.47 g/mol, XLogP of 4.31, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3S,4R)-4-ethoxyoxolan-3-yl]-4-phenyl-5-(2-phenylethyl)imidazole is sourced from PubChem (CID 50970568), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).