2-methyl-1-tritylimidazole-4-carbaldehyde

C24H20N2O — CID 15051936

IUPAC2-methyl-1-tritylimidazole-4-carbaldehyde
SMILESCc1nc(C=O)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20N2O/c1-19-25-23(18-27)17-26(19)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3
InChIKeyROIOCDBVMNZCJG-UHFFFAOYSA-N
MW352.44 g/mol
LogP4.84
Rot. Bonds5

About 2-methyl-1-tritylimidazole-4-carbaldehyde

2-methyl-1-tritylimidazole-4-carbaldehyde (PubChem CID 15051936) has the molecular formula C24H20N2O and a molecular weight of 352.44 g/mol. Its IUPAC name is 2-methyl-1-tritylimidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-methyl-1-tritylimidazole-4-carbaldehyde
PubChem CID15051936
Molecular FormulaC24H20N2O
Molecular Weight352.44 g/mol
Exact Mass352.16
IUPAC Name2-methyl-1-tritylimidazole-4-carbaldehyde
SMILESCc1nc(C=O)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1
InChIInChI=1S/C24H20N2O/c1-19-25-23(18-27)17-26(19)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3
InChIKeyROIOCDBVMNZCJG-UHFFFAOYSA-N
XLogP4.84
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.44
LogP ≤ 54.84
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-1-tritylimidazole-4-carbaldehyde?
The IUPAC name of 2-methyl-1-tritylimidazole-4-carbaldehyde (CID 15051936) is 2-methyl-1-tritylimidazole-4-carbaldehyde.
What is the SMILES notation for 2-methyl-1-tritylimidazole-4-carbaldehyde?
The canonical SMILES for 2-methyl-1-tritylimidazole-4-carbaldehyde is Cc1nc(C=O)cn1C(c1ccccc1)(c1ccccc1)c1ccccc1.
What is the InChIKey of 2-methyl-1-tritylimidazole-4-carbaldehyde?
The InChIKey is ROIOCDBVMNZCJG-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N2O/c1-19-25-23(18-27)17-26(19)24(20-11-5-2-6-12-20,21-13-7-3-8-14-21)22-15-9-4-10-16-22/h2-18H,1H3.
What are the key properties of 2-methyl-1-tritylimidazole-4-carbaldehyde?
2-methyl-1-tritylimidazole-4-carbaldehyde has a molecular weight of 352.44 g/mol, XLogP of 4.84, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-1-tritylimidazole-4-carbaldehyde is sourced from PubChem (CID 15051936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).