2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfinyl]propan-1-ol

C20H22N2O4S — CID 20521493

IUPAC2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfinyl]propan-1-ol
SMILESCOc1ccc(-c2nc(S(=O)C(C)CO)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22N2O4S/c1-13(12-23)27(24)20-21-18(14-4-8-16(25-2)9-5-14)19(22-20)15-6-10-17(26-3)11-7-15/h4-11,13,23H,12H2,1-3H3,(H,21,22)
InChIKeyWZQLUMHOPWGQJD-UHFFFAOYSA-N
MW386.47 g/mol
LogP3.25
Rot. Bonds7

About 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfinyl]propan-1-ol

2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfinyl]propan-1-ol (PubChem CID 20521493) has the molecular formula C20H22N2O4S and a molecular weight of 386.47 g/mol. Its IUPAC name is 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfinyl]propan-1-ol.

Molecular Properties

Compound Name2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfinyl]propan-1-ol
PubChem CID20521493
Molecular FormulaC20H22N2O4S
Molecular Weight386.47 g/mol
Exact Mass386.13
IUPAC Name2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfinyl]propan-1-ol
SMILESCOc1ccc(-c2nc(S(=O)C(C)CO)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C20H22N2O4S/c1-13(12-23)27(24)20-21-18(14-4-8-16(25-2)9-5-14)19(22-20)15-6-10-17(26-3)11-7-15/h4-11,13,23H,12H2,1-3H3,(H,21,22)
InChIKeyWZQLUMHOPWGQJD-UHFFFAOYSA-N
XLogP3.25
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.47
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfinyl]propan-1-ol?
The IUPAC name of 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfinyl]propan-1-ol (CID 20521493) is 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfinyl]propan-1-ol.
What is the SMILES notation for 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfinyl]propan-1-ol?
The canonical SMILES for 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfinyl]propan-1-ol is COc1ccc(-c2nc(S(=O)C(C)CO)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfinyl]propan-1-ol?
The InChIKey is WZQLUMHOPWGQJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N2O4S/c1-13(12-23)27(24)20-21-18(14-4-8-16(25-2)9-5-14)19(22-20)15-6-10-17(26-3)11-7-15/h4-11,13,23H,12H2,1-3H3,(H,21,22).
What are the key properties of 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfinyl]propan-1-ol?
2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfinyl]propan-1-ol has a molecular weight of 386.47 g/mol, XLogP of 3.25, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]sulfinyl]propan-1-ol is sourced from PubChem (CID 20521493), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).