3-fluoro-2-(1-tritylimidazol-4-yl)benzaldehyde

C29H21FN2O — CID 89052954

IUPAC3-fluoro-2-(1-tritylimidazol-4-yl)benzaldehyde
SMILESO=Cc1cccc(F)c1-c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C29H21FN2O/c30-26-18-10-11-22(20-33)28(26)27-19-32(21-31-27)29(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-21H
InChIKeyQMVIFZIPGJUYFD-UHFFFAOYSA-N
MW432.50 g/mol
LogP6.34
Rot. Bonds6

About 3-fluoro-2-(1-tritylimidazol-4-yl)benzaldehyde

3-fluoro-2-(1-tritylimidazol-4-yl)benzaldehyde (PubChem CID 89052954) has the molecular formula C29H21FN2O and a molecular weight of 432.50 g/mol. Its IUPAC name is 3-fluoro-2-(1-tritylimidazol-4-yl)benzaldehyde.

Molecular Properties

Compound Name3-fluoro-2-(1-tritylimidazol-4-yl)benzaldehyde
PubChem CID89052954
Molecular FormulaC29H21FN2O
Molecular Weight432.50 g/mol
Exact Mass432.16
IUPAC Name3-fluoro-2-(1-tritylimidazol-4-yl)benzaldehyde
SMILESO=Cc1cccc(F)c1-c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C29H21FN2O/c30-26-18-10-11-22(20-33)28(26)27-19-32(21-31-27)29(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-21H
InChIKeyQMVIFZIPGJUYFD-UHFFFAOYSA-N
XLogP6.34
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.50
LogP ≤ 56.34
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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Related Compounds

4-(5-Imidazol-1-ylmethyl-pyridin-2-yl)-benzaldehyde
CID 70683111
1-(triphenylmethyl)-1H-imidazole-4-carbaldehyde
CID 618233
N-[[3-[(2-fluorophenyl)methyl]imidazol-4-yl]methyl]-N-(3-methylbutyl)-5-phenylpyridine-3-carboxamide
CID 44524062
3-((5-(2-aminopyrimidin-4-yl)-4-(4-fluorophenyl)-1H-imidazol-1-yl)methyl)benzamide
CID 44568335
3-((4-(2-aminopyrimidin-4-yl)-5-(4-fluorophenyl)-1H-imidazol-1-yl)methyl)benzamide
CID 44568754
4-fluoro-N-(1-methyl-5-phenylimidazol-2-yl)benzamide
CID 1096811
4-fluoro-N-[1-methyl-5-(2-methylphenyl)imidazol-2-yl]benzamide
CID 168283828
4-fluoro-N-(1-methyl-4-phenylimidazol-2-yl)benzamide
CID 142448311
(2E)-7-fluoro-2-[(4-imidazol-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 171618217
(2E)-6-fluoro-2-[(4-imidazol-1-ylphenyl)methylidene]-3,4-dihydronaphthalen-1-one
CID 171618243
(2,3-Dimethylphenyl)(1-trityl-1H-imidazol-5-yl)methanone
CID 42631463
4-fluoro-N-[1-methyl-5-(4-methylphenyl)-1H-imidazol-2-yl]benzamide
CID 3692455

Frequently Asked Questions

What is the IUPAC name of 3-fluoro-2-(1-tritylimidazol-4-yl)benzaldehyde?
The IUPAC name of 3-fluoro-2-(1-tritylimidazol-4-yl)benzaldehyde (CID 89052954) is 3-fluoro-2-(1-tritylimidazol-4-yl)benzaldehyde.
What is the SMILES notation for 3-fluoro-2-(1-tritylimidazol-4-yl)benzaldehyde?
The canonical SMILES for 3-fluoro-2-(1-tritylimidazol-4-yl)benzaldehyde is O=Cc1cccc(F)c1-c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 3-fluoro-2-(1-tritylimidazol-4-yl)benzaldehyde?
The InChIKey is QMVIFZIPGJUYFD-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H21FN2O/c30-26-18-10-11-22(20-33)28(26)27-19-32(21-31-27)29(23-12-4-1-5-13-23,24-14-6-2-7-15-24)25-16-8-3-9-17-25/h1-21H.
What are the key properties of 3-fluoro-2-(1-tritylimidazol-4-yl)benzaldehyde?
3-fluoro-2-(1-tritylimidazol-4-yl)benzaldehyde has a molecular weight of 432.50 g/mol, XLogP of 6.34, 6 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-fluoro-2-(1-tritylimidazol-4-yl)benzaldehyde is sourced from PubChem (CID 89052954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).