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

C28H24N2OS — CID 10717797

IUPAC(3-methylthiophen-2-yl)-(1-tritylimidazol-4-yl)methanol
SMILESCc1ccsc1C(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C28H24N2OS/c1-21-17-18-32-27(21)26(31)25-19-30(20-29-25)28(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,26,31H,1H3
InChIKeyJNGOPKJHCRFSIJ-UHFFFAOYSA-N
MW436.58 g/mol
LogP6.17
Rot. Bonds6

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

(3-methylthiophen-2-yl)-(1-tritylimidazol-4-yl)methanol (PubChem CID 10717797) has the molecular formula C28H24N2OS and a molecular weight of 436.58 g/mol. Its IUPAC name is (3-methylthiophen-2-yl)-(1-tritylimidazol-4-yl)methanol.

Molecular Properties

Compound Name(3-methylthiophen-2-yl)-(1-tritylimidazol-4-yl)methanol
PubChem CID10717797
Molecular FormulaC28H24N2OS
Molecular Weight436.58 g/mol
Exact Mass436.16
IUPAC Name(3-methylthiophen-2-yl)-(1-tritylimidazol-4-yl)methanol
SMILESCc1ccsc1C(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C28H24N2OS/c1-21-17-18-32-27(21)26(31)25-19-30(20-29-25)28(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,26,31H,1H3
InChIKeyJNGOPKJHCRFSIJ-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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Related Compounds

CID 46961134
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CID 18466979
CID 18466979
CID 18466999
CID 18466999
CID 18467016
CID 18467016
CID 18467054
CID 18467054
CID 53236896
CID 53236896
CID 57437677
CID 57437677
CID 59251625
CID 59251625
CID 75985685
CID 75985685

Frequently Asked Questions

What is the IUPAC name of (3-methylthiophen-2-yl)-(1-tritylimidazol-4-yl)methanol?
The IUPAC name of (3-methylthiophen-2-yl)-(1-tritylimidazol-4-yl)methanol (CID 10717797) is (3-methylthiophen-2-yl)-(1-tritylimidazol-4-yl)methanol.
What is the SMILES notation for (3-methylthiophen-2-yl)-(1-tritylimidazol-4-yl)methanol?
The canonical SMILES for (3-methylthiophen-2-yl)-(1-tritylimidazol-4-yl)methanol is Cc1ccsc1C(O)c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of (3-methylthiophen-2-yl)-(1-tritylimidazol-4-yl)methanol?
The InChIKey is JNGOPKJHCRFSIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H24N2OS/c1-21-17-18-32-27(21)26(31)25-19-30(20-29-25)28(22-11-5-2-6-12-22,23-13-7-3-8-14-23)24-15-9-4-10-16-24/h2-20,26,31H,1H3.
What are the key properties of (3-methylthiophen-2-yl)-(1-tritylimidazol-4-yl)methanol?
(3-methylthiophen-2-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 (3-methylthiophen-2-yl)-(1-tritylimidazol-4-yl)methanol is sourced from PubChem (CID 10717797), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).