(2,3-dimethylphenyl)-(1-tritylimidazol-4-yl)methanone

C31H26N2O — CID 10789333

IUPAC(2,3-dimethylphenyl)-(1-tritylimidazol-4-yl)methanone
SMILESCc1cccc(C(=O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c1C
InChIInChI=1S/C31H26N2O/c1-23-13-12-20-28(24(23)2)30(34)29-21-33(22-32-29)31(25-14-6-3-7-15-25,26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-22H,1-2H3
InChIKeyZXHLCLMKNSXZEJ-UHFFFAOYSA-N
MW442.56 g/mol
LogP6.57
Rot. Bonds6

About (2,3-dimethylphenyl)-(1-tritylimidazol-4-yl)methanone

(2,3-dimethylphenyl)-(1-tritylimidazol-4-yl)methanone (PubChem CID 10789333) has the molecular formula C31H26N2O and a molecular weight of 442.56 g/mol. Its IUPAC name is (2,3-dimethylphenyl)-(1-tritylimidazol-4-yl)methanone.

Molecular Properties

Compound Name(2,3-dimethylphenyl)-(1-tritylimidazol-4-yl)methanone
PubChem CID10789333
Molecular FormulaC31H26N2O
Molecular Weight442.56 g/mol
Exact Mass442.20
IUPAC Name(2,3-dimethylphenyl)-(1-tritylimidazol-4-yl)methanone
SMILESCc1cccc(C(=O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c1C
InChIInChI=1S/C31H26N2O/c1-23-13-12-20-28(24(23)2)30(34)29-21-33(22-32-29)31(25-14-6-3-7-15-25,26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-22H,1-2H3
InChIKeyZXHLCLMKNSXZEJ-UHFFFAOYSA-N
XLogP6.57
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.56
LogP ≤ 56.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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 (2,3-dimethylphenyl)-(1-tritylimidazol-4-yl)methanone?
The IUPAC name of (2,3-dimethylphenyl)-(1-tritylimidazol-4-yl)methanone (CID 10789333) is (2,3-dimethylphenyl)-(1-tritylimidazol-4-yl)methanone.
What is the SMILES notation for (2,3-dimethylphenyl)-(1-tritylimidazol-4-yl)methanone?
The canonical SMILES for (2,3-dimethylphenyl)-(1-tritylimidazol-4-yl)methanone is Cc1cccc(C(=O)c2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)c1C.
What is the InChIKey of (2,3-dimethylphenyl)-(1-tritylimidazol-4-yl)methanone?
The InChIKey is ZXHLCLMKNSXZEJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O/c1-23-13-12-20-28(24(23)2)30(34)29-21-33(22-32-29)31(25-14-6-3-7-15-25,26-16-8-4-9-17-26)27-18-10-5-11-19-27/h3-22H,1-2H3.
What are the key properties of (2,3-dimethylphenyl)-(1-tritylimidazol-4-yl)methanone?
(2,3-dimethylphenyl)-(1-tritylimidazol-4-yl)methanone has a molecular weight of 442.56 g/mol, XLogP of 6.57, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2,3-dimethylphenyl)-(1-tritylimidazol-4-yl)methanone is sourced from PubChem (CID 10789333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).