3-[5-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]-4-phenylimidazol-1-yl]propan-1-ol

C20H22N2O2S — CID 95123346

IUPAC3-[5-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]-4-phenylimidazol-1-yl]propan-1-ol
SMILESOCCCn1cnc(-c2ccccc2)c1-c1ccc([C@@H]2CCCO2)s1
InChIInChI=1S/C20H22N2O2S/c23-12-5-11-22-14-21-19(15-6-2-1-3-7-15)20(22)18-10-9-17(25-18)16-8-4-13-24-16/h1-3,6-7,9-10,14,16,23H,4-5,8,11-13H2/t16-/m0/s1
InChIKeyYJHHBQHRIGJVAJ-INIZCTEOSA-N
MW354.48 g/mol
LogP4.51
Rot. Bonds6

About 3-[5-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]-4-phenylimidazol-1-yl]propan-1-ol

3-[5-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]-4-phenylimidazol-1-yl]propan-1-ol (PubChem CID 95123346) has the molecular formula C20H22N2O2S and a molecular weight of 354.48 g/mol. Its IUPAC name is 3-[5-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]-4-phenylimidazol-1-yl]propan-1-ol.

Molecular Properties

Compound Name3-[5-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]-4-phenylimidazol-1-yl]propan-1-ol
PubChem CID95123346
Molecular FormulaC20H22N2O2S
Molecular Weight354.48 g/mol
Exact Mass354.14
IUPAC Name3-[5-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]-4-phenylimidazol-1-yl]propan-1-ol
SMILESOCCCn1cnc(-c2ccccc2)c1-c1ccc([C@@H]2CCCO2)s1
InChIInChI=1S/C20H22N2O2S/c23-12-5-11-22-14-21-19(15-6-2-1-3-7-15)20(22)18-10-9-17(25-18)16-8-4-13-24-16/h1-3,6-7,9-10,14,16,23H,4-5,8,11-13H2/t16-/m0/s1
InChIKeyYJHHBQHRIGJVAJ-INIZCTEOSA-N
XLogP4.51
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500354.48
LogP ≤ 54.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 3-[5-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]-4-phenylimidazol-1-yl]propan-1-ol with MolForge

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Related Compounds

[(3S)-1-[2-[5-(3-methylthiophen-2-yl)-4-phenylimidazol-1-yl]ethyl]piperidin-3-yl]methanol
CID 95143517
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CID 50949049
4-phenyl-5-(tetrahydrofuran-3-yl)-1-[2-(2-thienyl)ethyl]-1H-imidazole
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2-{4-phenyl-5-[5-(tetrahydro-2H-pyran-2-yl)-2-thienyl]-1H-imidazol-1-yl}ethanol
CID 50957342
(3-{2-[5-(tetrahydro-2H-pyran-2-yl)-2-thienyl]-1H-imidazol-1-yl}phenyl)methanol
CID 56897423
1-(1-Ethoxyethyl)-5-(4-methylthiophen-2-yl)-4-phenylimidazole
CID 20244163
2-(5H-imidazo[5,1-a]isoindol-5-yl)-1-[4-(thiophen-2-ylmethoxy)cyclohexyl]ethanol
CID 89989062
3-[[5-(2-Hydroxypropyl)-4-(4-methylthiophen-3-yl)imidazol-1-yl]methyl]phenol
CID 134376661
3-[[5-(2-Hydroxypropyl)-4-thiophen-3-ylimidazol-1-yl]methyl]phenol
CID 134376770
Phenyl-[3-[(6-thiophen-3-yl-3-pyridinyl)methyl]imidazol-4-yl]methanol
CID 141883007
5-[[5-[Methoxy(phenyl)methyl]imidazol-1-yl]methyl]-2-thiophen-3-ylpyridine
CID 141883021
1-[1-butan-2-yl-4-(thiophen-2-ylmethoxy)cyclohexyl]-2-(5H-imidazo[5,1-a]isoindol-5-yl)ethanol
CID 144460150

Frequently Asked Questions

What is the IUPAC name of 3-[5-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]-4-phenylimidazol-1-yl]propan-1-ol?
The IUPAC name of 3-[5-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]-4-phenylimidazol-1-yl]propan-1-ol (CID 95123346) is 3-[5-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]-4-phenylimidazol-1-yl]propan-1-ol.
What is the SMILES notation for 3-[5-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]-4-phenylimidazol-1-yl]propan-1-ol?
The canonical SMILES for 3-[5-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]-4-phenylimidazol-1-yl]propan-1-ol is OCCCn1cnc(-c2ccccc2)c1-c1ccc([C@@H]2CCCO2)s1.
What is the InChIKey of 3-[5-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]-4-phenylimidazol-1-yl]propan-1-ol?
The InChIKey is YJHHBQHRIGJVAJ-INIZCTEOSA-N. The full InChI is InChI=1S/C20H22N2O2S/c23-12-5-11-22-14-21-19(15-6-2-1-3-7-15)20(22)18-10-9-17(25-18)16-8-4-13-24-16/h1-3,6-7,9-10,14,16,23H,4-5,8,11-13H2/t16-/m0/s1.
What are the key properties of 3-[5-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]-4-phenylimidazol-1-yl]propan-1-ol?
3-[5-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]-4-phenylimidazol-1-yl]propan-1-ol has a molecular weight of 354.48 g/mol, XLogP of 4.51, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-[5-[(2S)-oxolan-2-yl]thiophen-2-yl]-4-phenylimidazol-1-yl]propan-1-ol is sourced from PubChem (CID 95123346), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).