(4-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol

C28H24N2OS — CID 10717796

IUPAC(4-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol
SMILESCc1cscc1C(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C28H24N2OS/c1-21-18-32-19-25(21)27(31)26-17-30(20-29-26)28(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,27,31H,1H3
InChIKeyJAWJCWBSRXYPNH-UHFFFAOYSA-N
MW436.58 g/mol
LogP6.17
Rot. Bonds6

About (4-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol

(4-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol (PubChem CID 10717796) has the molecular formula C28H24N2OS and a molecular weight of 436.58 g/mol. Its IUPAC name is (4-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(4-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol
PubChem CID10717796
Molecular FormulaC28H24N2OS
Molecular Weight436.58 g/mol
Exact Mass436.16
IUPAC Name(4-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol
SMILESCc1cscc1C(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C28H24N2OS/c1-21-18-32-19-25(21)27(31)26-17-30(20-29-26)28(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,27,31H,1H3
InChIKeyJAWJCWBSRXYPNH-UHFFFAOYSA-N
XLogP6.17
TPSA38.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.58
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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 (4-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol?
The IUPAC name of (4-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol (CID 10717796) is (4-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol.
What is the SMILES notation for (4-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol?
The canonical SMILES for (4-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol is Cc1cscc1C(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of (4-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol?
The InChIKey is JAWJCWBSRXYPNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2OS/c1-21-18-32-19-25(21)27(31)26-17-30(20-29-26)28(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,27,31H,1H3.
What are the key properties of (4-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol?
(4-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol has a molecular weight of 436.58 g/mol, XLogP of 6.17, 6 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (4-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol is sourced from PubChem (CID 10717796), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).