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

C28H24N2OS — CID 10526927

IUPAC(2-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol
SMILESCc1sccc1C(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C28H24N2OS/c1-21-25(17-18-32-21)27(31)26-19-30(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
InChIKeyYMAXWSIMMARWKD-UHFFFAOYSA-N
MW436.58 g/mol
LogP6.17
Rot. Bonds6

About (2-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol

(2-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol (PubChem CID 10526927) has the molecular formula C28H24N2OS and a molecular weight of 436.58 g/mol. Its IUPAC name is (2-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(2-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol
PubChem CID10526927
Molecular FormulaC28H24N2OS
Molecular Weight436.58 g/mol
Exact Mass436.16
IUPAC Name(2-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol
SMILESCc1sccc1C(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C28H24N2OS/c1-21-25(17-18-32-21)27(31)26-19-30(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
InChIKeyYMAXWSIMMARWKD-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 (2-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol?
The IUPAC name of (2-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol (CID 10526927) is (2-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol.
What is the SMILES notation for (2-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol?
The canonical SMILES for (2-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol is Cc1sccc1C(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of (2-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol?
The InChIKey is YMAXWSIMMARWKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2OS/c1-21-25(17-18-32-21)27(31)26-19-30(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 (2-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol?
(2-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 (2-methylthiophen-3-yl)-(1-tritylimidazol-4-yl)methanol is sourced from PubChem (CID 10526927), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).