1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanone

C31H26N2O2 — CID 154136701

IUPAC1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1
InChIInChI=1S/C31H26N2O2/c1-24(34)25-17-19-30(20-18-25)35-22-29-21-33(23-32-29)31(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-21,23H,22H2,1H3
InChIKeyLYTCZDGFIDSJPJ-UHFFFAOYSA-N
MW458.56 g/mol
LogP6.50
Rot. Bonds8

About 1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanone

1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanone (PubChem CID 154136701) has the molecular formula C31H26N2O2 and a molecular weight of 458.56 g/mol. Its IUPAC name is 1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanone.

Molecular Properties

Compound Name1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanone
PubChem CID154136701
Molecular FormulaC31H26N2O2
Molecular Weight458.56 g/mol
Exact Mass458.20
IUPAC Name1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanone
SMILESCC(=O)c1ccc(OCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1
InChIInChI=1S/C31H26N2O2/c1-24(34)25-17-19-30(20-18-25)35-22-29-21-33(23-32-29)31(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-21,23H,22H2,1H3
InChIKeyLYTCZDGFIDSJPJ-UHFFFAOYSA-N
XLogP6.50
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500458.56
LogP ≤ 56.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

(E)-N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine
CID 118954283
N-[[4-(trifluoromethyl)phenyl]methoxy]-1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanimine
CID 140707689
1-[3-[3-(1-tritylimidazol-4-yl)propoxy]phenyl]ethanone
CID 11225518
1-[4-[(1-methylpyrazol-3-yl)methoxy]phenyl]ethanone
CID 82842996
methyl (2S)-2-methyl-3-(1-tritylimidazol-4-yl)propanoate
CID 155065705
benzyl (2S)-2-amino-3-(1-tritylimidazol-4-yl)propanoate
CID 102137905
2-(1-tritylimidazol-4-yl)acetaldehyde
CID 22254261
(6-ethoxynaphthalen-2-yl)-(1-tritylimidazol-4-yl)methanone
CID 22664967
1-[4-(methoxymethoxy)phenyl]ethanone;1-phenylethanone
CID 54405970
1-[4-[(8-chloroimidazo[1,2-a]pyridin-2-yl)methoxy]phenyl]ethanone
CID 82529673
4-(diethoxyphosphorylmethyl)-1-tritylimidazole
CID 2763175
1-[4-[[4-[(4-acetylphenoxy)methyl]phenyl]methoxy]phenyl]ethanone
CID 10619405

Frequently Asked Questions

What is the IUPAC name of 1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanone?
The IUPAC name of 1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanone (CID 154136701) is 1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanone.
What is the SMILES notation for 1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanone?
The canonical SMILES for 1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanone is CC(=O)c1ccc(OCc2cn(C(c3ccccc3)(c3ccccc3)c3ccccc3)cn2)cc1.
What is the InChIKey of 1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanone?
The InChIKey is LYTCZDGFIDSJPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H26N2O2/c1-24(34)25-17-19-30(20-18-25)35-22-29-21-33(23-32-29)31(26-11-5-2-6-12-26,27-13-7-3-8-14-27)28-15-9-4-10-16-28/h2-21,23H,22H2,1H3.
What are the key properties of 1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanone?
1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanone has a molecular weight of 458.56 g/mol, XLogP of 6.50, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[(1-tritylimidazol-4-yl)methoxy]phenyl]ethanone is sourced from PubChem (CID 154136701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).