2,4-dimethyl-1-tritylimidazole;ethane

C26H28N2 — CID 142961843

IUPAC2,4-dimethyl-1-tritylimidazole;ethane
SMILESCC.Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)n1
InChIInChI=1S/C24H22N2.C2H6/c1-19-18-26(20(2)25-19)24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;1-2/h3-18H,1-2H3;1-2H3
InChIKeyJMAJIASUJIAVET-UHFFFAOYSA-N
MW368.52 g/mol
LogP6.37
Rot. Bonds4

About 2,4-dimethyl-1-tritylimidazole;ethane

2,4-dimethyl-1-tritylimidazole;ethane (PubChem CID 142961843) has the molecular formula C26H28N2 and a molecular weight of 368.52 g/mol. Its IUPAC name is 2,4-dimethyl-1-tritylimidazole;ethane.

Molecular Properties

Compound Name2,4-dimethyl-1-tritylimidazole;ethane
PubChem CID142961843
Molecular FormulaC26H28N2
Molecular Weight368.52 g/mol
Exact Mass368.23
IUPAC Name2,4-dimethyl-1-tritylimidazole;ethane
SMILESCC.Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)n1
InChIInChI=1S/C24H22N2.C2H6/c1-19-18-26(20(2)25-19)24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;1-2/h3-18H,1-2H3;1-2H3
InChIKeyJMAJIASUJIAVET-UHFFFAOYSA-N
XLogP6.37
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500368.52
LogP ≤ 56.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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 2,4-dimethyl-1-tritylimidazole;ethane?
The IUPAC name of 2,4-dimethyl-1-tritylimidazole;ethane (CID 142961843) is 2,4-dimethyl-1-tritylimidazole;ethane.
What is the SMILES notation for 2,4-dimethyl-1-tritylimidazole;ethane?
The canonical SMILES for 2,4-dimethyl-1-tritylimidazole;ethane is CC.Cc1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)c(C)n1.
What is the InChIKey of 2,4-dimethyl-1-tritylimidazole;ethane?
The InChIKey is JMAJIASUJIAVET-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22N2.C2H6/c1-19-18-26(20(2)25-19)24(21-12-6-3-7-13-21,22-14-8-4-9-15-22)23-16-10-5-11-17-23;1-2/h3-18H,1-2H3;1-2H3.
What are the key properties of 2,4-dimethyl-1-tritylimidazole;ethane?
2,4-dimethyl-1-tritylimidazole;ethane has a molecular weight of 368.52 g/mol, XLogP of 6.37, 4 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-1-tritylimidazole;ethane is sourced from PubChem (CID 142961843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).