3-(1-tritylimidazol-4-yl)pyridine-4-carbaldehyde

C28H21N3O — CID 121284429

IUPAC3-(1-tritylimidazol-4-yl)pyridine-4-carbaldehyde
SMILESO=Cc1ccncc1-c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C28H21N3O/c32-20-22-16-17-29-18-26(22)27-19-31(21-30-27)28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21H
InChIKeyRFPHUYHJQDXGQP-UHFFFAOYSA-N
MW415.50 g/mol
LogP5.60
Rot. Bonds6

About 3-(1-tritylimidazol-4-yl)pyridine-4-carbaldehyde

3-(1-tritylimidazol-4-yl)pyridine-4-carbaldehyde (PubChem CID 121284429) has the molecular formula C28H21N3O and a molecular weight of 415.50 g/mol. Its IUPAC name is 3-(1-tritylimidazol-4-yl)pyridine-4-carbaldehyde.

Molecular Properties

Compound Name3-(1-tritylimidazol-4-yl)pyridine-4-carbaldehyde
PubChem CID121284429
Molecular FormulaC28H21N3O
Molecular Weight415.50 g/mol
Exact Mass415.17
IUPAC Name3-(1-tritylimidazol-4-yl)pyridine-4-carbaldehyde
SMILESO=Cc1ccncc1-c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1
InChIInChI=1S/C28H21N3O/c32-20-22-16-17-29-18-26(22)27-19-31(21-30-27)28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21H
InChIKeyRFPHUYHJQDXGQP-UHFFFAOYSA-N
XLogP5.60
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.50
LogP ≤ 55.60
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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

3-((4-(4-fluorophenyl)-5-(2-((S)-1-phenylethylamino)pyrimidin-4-yl)-1H-imidazol-1-yl)methyl)benzamide
CID 44568359
4-((4-(4-fluorophenyl)-5-(2-((S)-1-phenylethylamino)pyrimidin-4-yl)-1H-imidazol-1-yl)methyl)benzamide
CID 44568361
2-[4-(1-Aminocyclobutyl)phenyl]-3-phenylimidazo[1,2-a]pyridine-7-carboxamide
CID 56644402
5-((1H-imidazol-1-yl)(phenyl)methyl)-2-phenylpyridine
CID 57330007
5-Imidazol-1-ylmethyl-2,3-diphenyl-pyridine
CID 67515869
4-(5-Imidazol-1-ylmethyl-pyridin-2-yl)-benzaldehyde
CID 70683111
[4-(5-Imidazol-1-ylmethyl-pyridin-2-yl)-phenyl]-diphenyl-amine
CID 70683112
1-(triphenylmethyl)-1H-imidazole-4-carbaldehyde
CID 618233
4-(6-imidazol-1-ylpyrimidin-4-yl)-N,N-dimethylbenzamide
CID 3233578
N-(4-Methyl-benzyl)-4-(2-pyridin-4-yl-4-p-tolyl-imidazol-1-ylmethyl)-benzamide
CID 24819989
Benzamide, N-[3-[4-(4-fluorophenyl)-5-(4-pyridinyl)-1H-imidazol-1-yl]propyl]-
CID 44404444
N-bphenyl-4-yl-2-imidazo[4,5-c]pyridin-5-ylmethyl-benzamide
CID 44409166

Frequently Asked Questions

What is the IUPAC name of 3-(1-tritylimidazol-4-yl)pyridine-4-carbaldehyde?
The IUPAC name of 3-(1-tritylimidazol-4-yl)pyridine-4-carbaldehyde (CID 121284429) is 3-(1-tritylimidazol-4-yl)pyridine-4-carbaldehyde.
What is the SMILES notation for 3-(1-tritylimidazol-4-yl)pyridine-4-carbaldehyde?
The canonical SMILES for 3-(1-tritylimidazol-4-yl)pyridine-4-carbaldehyde is O=Cc1ccncc1-c1cn(C(c2ccccc2)(c2ccccc2)c2ccccc2)cn1.
What is the InChIKey of 3-(1-tritylimidazol-4-yl)pyridine-4-carbaldehyde?
The InChIKey is RFPHUYHJQDXGQP-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H21N3O/c32-20-22-16-17-29-18-26(22)27-19-31(21-30-27)28(23-10-4-1-5-11-23,24-12-6-2-7-13-24)25-14-8-3-9-15-25/h1-21H.
What are the key properties of 3-(1-tritylimidazol-4-yl)pyridine-4-carbaldehyde?
3-(1-tritylimidazol-4-yl)pyridine-4-carbaldehyde has a molecular weight of 415.50 g/mol, XLogP of 5.60, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1-tritylimidazol-4-yl)pyridine-4-carbaldehyde is sourced from PubChem (CID 121284429), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).