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

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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).