1-(1H-imidazol-5-yl)-1-(4-methylthiophen-2-yl)-2,2,2-triphenylethanol

C28H24N2OS — CID 54470267

IUPAC1-(1H-imidazol-5-yl)-1-(4-methylthiophen-2-yl)-2,2,2-triphenylethanol
SMILESCc1csc(C(O)(c2cnc[nH]2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C28H24N2OS/c1-21-17-26(32-19-21)28(31,25-18-29-20-30-25)27(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,31H,1H3,(H,29,30)
InChIKeyXHVKBOFIQRYBDA-UHFFFAOYSA-N
MW436.58 g/mol
LogP6.05
Rot. Bonds6

About 1-(1H-imidazol-5-yl)-1-(4-methylthiophen-2-yl)-2,2,2-triphenylethanol

1-(1H-imidazol-5-yl)-1-(4-methylthiophen-2-yl)-2,2,2-triphenylethanol (PubChem CID 54470267) has the molecular formula C28H24N2OS and a molecular weight of 436.58 g/mol. Its IUPAC name is 1-(1H-imidazol-5-yl)-1-(4-methylthiophen-2-yl)-2,2,2-triphenylethanol.

Molecular Properties

Compound Name1-(1H-imidazol-5-yl)-1-(4-methylthiophen-2-yl)-2,2,2-triphenylethanol
PubChem CID54470267
Molecular FormulaC28H24N2OS
Molecular Weight436.58 g/mol
Exact Mass436.16
IUPAC Name1-(1H-imidazol-5-yl)-1-(4-methylthiophen-2-yl)-2,2,2-triphenylethanol
SMILESCc1csc(C(O)(c2cnc[nH]2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C28H24N2OS/c1-21-17-26(32-19-21)28(31,25-18-29-20-30-25)27(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,31H,1H3,(H,29,30)
InChIKeyXHVKBOFIQRYBDA-UHFFFAOYSA-N
XLogP6.05
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 56.05
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triphenyl_methyl-silyl', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 1-(1H-imidazol-5-yl)-1-(4-methylthiophen-2-yl)-2,2,2-triphenylethanol?
The IUPAC name of 1-(1H-imidazol-5-yl)-1-(4-methylthiophen-2-yl)-2,2,2-triphenylethanol (CID 54470267) is 1-(1H-imidazol-5-yl)-1-(4-methylthiophen-2-yl)-2,2,2-triphenylethanol.
What is the SMILES notation for 1-(1H-imidazol-5-yl)-1-(4-methylthiophen-2-yl)-2,2,2-triphenylethanol?
The canonical SMILES for 1-(1H-imidazol-5-yl)-1-(4-methylthiophen-2-yl)-2,2,2-triphenylethanol is Cc1csc(C(O)(c2cnc[nH]2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of 1-(1H-imidazol-5-yl)-1-(4-methylthiophen-2-yl)-2,2,2-triphenylethanol?
The InChIKey is XHVKBOFIQRYBDA-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2OS/c1-21-17-26(32-19-21)28(31,25-18-29-20-30-25)27(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,31H,1H3,(H,29,30).
What are the key properties of 1-(1H-imidazol-5-yl)-1-(4-methylthiophen-2-yl)-2,2,2-triphenylethanol?
1-(1H-imidazol-5-yl)-1-(4-methylthiophen-2-yl)-2,2,2-triphenylethanol has a molecular weight of 436.58 g/mol, XLogP of 6.05, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1H-imidazol-5-yl)-1-(4-methylthiophen-2-yl)-2,2,2-triphenylethanol is sourced from PubChem (CID 54470267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).