1-(3,4-dimethylthiophen-2-yl)-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanol

C29H26N2OS — CID 54130446

IUPAC1-(3,4-dimethylthiophen-2-yl)-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanol
SMILESCc1csc(C(O)(c2cnc[nH]2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C29H26N2OS/c1-21-19-33-27(22(21)2)29(32,26-18-30-20-31-26)28(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-20,32H,1-2H3,(H,30,31)
InChIKeyNTYUGOSYOBDCLX-UHFFFAOYSA-N
MW450.61 g/mol
LogP6.36
Rot. Bonds6

About 1-(3,4-dimethylthiophen-2-yl)-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanol

1-(3,4-dimethylthiophen-2-yl)-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanol (PubChem CID 54130446) has the molecular formula C29H26N2OS and a molecular weight of 450.61 g/mol. Its IUPAC name is 1-(3,4-dimethylthiophen-2-yl)-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanol.

Molecular Properties

Compound Name1-(3,4-dimethylthiophen-2-yl)-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanol
PubChem CID54130446
Molecular FormulaC29H26N2OS
Molecular Weight450.61 g/mol
Exact Mass450.18
IUPAC Name1-(3,4-dimethylthiophen-2-yl)-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanol
SMILESCc1csc(C(O)(c2cnc[nH]2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C
InChIInChI=1S/C29H26N2OS/c1-21-19-33-27(22(21)2)29(32,26-18-30-20-31-26)28(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-20,32H,1-2H3,(H,30,31)
InChIKeyNTYUGOSYOBDCLX-UHFFFAOYSA-N
XLogP6.36
TPSA48.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500450.61
LogP ≤ 56.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-(3,4-dimethylthiophen-2-yl)-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(3,4-dimethylthiophen-2-yl)-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanol?
The IUPAC name of 1-(3,4-dimethylthiophen-2-yl)-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanol (CID 54130446) is 1-(3,4-dimethylthiophen-2-yl)-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanol.
What is the SMILES notation for 1-(3,4-dimethylthiophen-2-yl)-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanol?
The canonical SMILES for 1-(3,4-dimethylthiophen-2-yl)-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanol is Cc1csc(C(O)(c2cnc[nH]2)C(c2ccccc2)(c2ccccc2)c2ccccc2)c1C.
What is the InChIKey of 1-(3,4-dimethylthiophen-2-yl)-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanol?
The InChIKey is NTYUGOSYOBDCLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H26N2OS/c1-21-19-33-27(22(21)2)29(32,26-18-30-20-31-26)28(23-12-6-3-7-13-23,24-14-8-4-9-15-24)25-16-10-5-11-17-25/h3-20,32H,1-2H3,(H,30,31).
What are the key properties of 1-(3,4-dimethylthiophen-2-yl)-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanol?
1-(3,4-dimethylthiophen-2-yl)-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanol has a molecular weight of 450.61 g/mol, XLogP of 6.36, 6 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3,4-dimethylthiophen-2-yl)-1-(1H-imidazol-5-yl)-2,2,2-triphenylethanol is sourced from PubChem (CID 54130446), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).