3-dibenzothiophen-2-yl-1-imidazol-1-yl-2-methylbutan-2-ol

C20H20N2OS — CID 20572805

IUPAC3-dibenzothiophen-2-yl-1-imidazol-1-yl-2-methylbutan-2-ol
SMILESCC(c1ccc2sc3ccccc3c2c1)C(C)(O)Cn1ccnc1
InChIInChI=1S/C20H20N2OS/c1-14(20(2,23)12-22-10-9-21-13-22)15-7-8-19-17(11-15)16-5-3-4-6-18(16)24-19/h3-11,13-14,23H,12H2,1-2H3
InChIKeyFISZJTRECWOWMY-UHFFFAOYSA-N
MW336.46 g/mol
LogP4.81
Rot. Bonds4

About 3-dibenzothiophen-2-yl-1-imidazol-1-yl-2-methylbutan-2-ol

3-dibenzothiophen-2-yl-1-imidazol-1-yl-2-methylbutan-2-ol (PubChem CID 20572805) has the molecular formula C20H20N2OS and a molecular weight of 336.46 g/mol. Its IUPAC name is 3-dibenzothiophen-2-yl-1-imidazol-1-yl-2-methylbutan-2-ol.

Molecular Properties

Compound Name3-dibenzothiophen-2-yl-1-imidazol-1-yl-2-methylbutan-2-ol
PubChem CID20572805
Molecular FormulaC20H20N2OS
Molecular Weight336.46 g/mol
Exact Mass336.13
IUPAC Name3-dibenzothiophen-2-yl-1-imidazol-1-yl-2-methylbutan-2-ol
SMILESCC(c1ccc2sc3ccccc3c2c1)C(C)(O)Cn1ccnc1
InChIInChI=1S/C20H20N2OS/c1-14(20(2,23)12-22-10-9-21-13-22)15-7-8-19-17(11-15)16-5-3-4-6-18(16)24-19/h3-11,13-14,23H,12H2,1-2H3
InChIKeyFISZJTRECWOWMY-UHFFFAOYSA-N
XLogP4.81
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.46
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-dibenzothiophen-2-yl-1-imidazol-1-yl-2-methylbutan-2-ol?
The IUPAC name of 3-dibenzothiophen-2-yl-1-imidazol-1-yl-2-methylbutan-2-ol (CID 20572805) is 3-dibenzothiophen-2-yl-1-imidazol-1-yl-2-methylbutan-2-ol.
What is the SMILES notation for 3-dibenzothiophen-2-yl-1-imidazol-1-yl-2-methylbutan-2-ol?
The canonical SMILES for 3-dibenzothiophen-2-yl-1-imidazol-1-yl-2-methylbutan-2-ol is CC(c1ccc2sc3ccccc3c2c1)C(C)(O)Cn1ccnc1.
What is the InChIKey of 3-dibenzothiophen-2-yl-1-imidazol-1-yl-2-methylbutan-2-ol?
The InChIKey is FISZJTRECWOWMY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N2OS/c1-14(20(2,23)12-22-10-9-21-13-22)15-7-8-19-17(11-15)16-5-3-4-6-18(16)24-19/h3-11,13-14,23H,12H2,1-2H3.
What are the key properties of 3-dibenzothiophen-2-yl-1-imidazol-1-yl-2-methylbutan-2-ol?
3-dibenzothiophen-2-yl-1-imidazol-1-yl-2-methylbutan-2-ol has a molecular weight of 336.46 g/mol, XLogP of 4.81, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-dibenzothiophen-2-yl-1-imidazol-1-yl-2-methylbutan-2-ol is sourced from PubChem (CID 20572805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).