(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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Related Compounds

(1-methyl-1H-imidazol-5-yl)(phenyl)methanone
CID 914663
1-[3-[(1R)-1-phenylethyl]imidazol-4-yl]ethanone
CID 24828314
([1,1'-Biphenyl]-4-yl)[5-([1,1'-biphenyl]-4-yl)-1H-imidazol-2-yl]methanone
CID 346910
1-(triphenylmethyl)-1H-imidazole-4-carbaldehyde
CID 618233
1-[2-(4-Cyclohexylphenyl)-2-oxoethyl]-3-phenyl-1,5,6,7-tetrahydropyrrolo[1,2-a]imidazol-4-ium
CID 1399321
[(S)-4-(3-Benzyl-3H-imidazol-4-ylmethyl)-3-butyl-piperazin-1-yl]-naphthalen-1-yl-methanone
CID 15390963
Biphenyl-4-yl-(2-imidazol-1-ylmethyl-phenyl)-methanone
CID 16747939
Biphenyl-4-yl-(3-imidazol-1-ylmethyl-phenyl)-methanone
CID 16747940
1-[[(2S)-1-tritylaziridin-2-yl]methyl]benzimidazole-4,7-dione
CID 25138673
1-[2-Phenyl-4-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methylamino]phenyl]ethanone
CID 44157273
1-[2-Phenyl-4-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methylamino]phenyl]propan-1-one
CID 44157274
1-[2-Phenyl-4-[[3-[(4-phenylphenyl)methyl]imidazol-4-yl]methylamino]phenyl]butan-1-one
CID 44158207

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).