(5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)-(4-phenyl-1-tritylimidazol-2-yl)methanol

C40H37FN2O3 — CID 68813196

IUPAC(5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)-(4-phenyl-1-tritylimidazol-2-yl)methanol
SMILESCCOc1cc(OC(C)C)c(F)c(C(O)c2nc(-c3ccccc3)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C40H37FN2O3/c1-4-45-33-25-34(37(41)36(26-33)46-28(2)3)38(44)39-42-35(29-17-9-5-10-18-29)27-43(39)40(30-19-11-6-12-20-30,31-21-13-7-14-22-31)32-23-15-8-16-24-32/h5-28,38,44H,4H2,1-3H3
InChIKeyFHYGDFBUEISCAG-UHFFFAOYSA-N
MW612.75 g/mol
LogP8.80
Rot. Bonds11

About (5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)-(4-phenyl-1-tritylimidazol-2-yl)methanol

(5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)-(4-phenyl-1-tritylimidazol-2-yl)methanol (PubChem CID 68813196) has the molecular formula C40H37FN2O3 and a molecular weight of 612.75 g/mol. Its IUPAC name is (5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)-(4-phenyl-1-tritylimidazol-2-yl)methanol.

Molecular Properties

Compound Name(5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)-(4-phenyl-1-tritylimidazol-2-yl)methanol
PubChem CID68813196
Molecular FormulaC40H37FN2O3
Molecular Weight612.75 g/mol
Exact Mass612.28
IUPAC Name(5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)-(4-phenyl-1-tritylimidazol-2-yl)methanol
SMILESCCOc1cc(OC(C)C)c(F)c(C(O)c2nc(-c3ccccc3)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1
InChIInChI=1S/C40H37FN2O3/c1-4-45-33-25-34(37(41)36(26-33)46-28(2)3)38(44)39-42-35(29-17-9-5-10-18-29)27-43(39)40(30-19-11-6-12-20-30,31-21-13-7-14-22-31)32-23-15-8-16-24-32/h5-28,38,44H,4H2,1-3H3
InChIKeyFHYGDFBUEISCAG-UHFFFAOYSA-N
XLogP8.80
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms46
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500612.75
LogP ≤ 58.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

Analyze (5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)-(4-phenyl-1-tritylimidazol-2-yl)methanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-[[(5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)-(5-methyl-4-phenyl-1-tritylimidazol-2-yl)methyl]amino]benzonitrile
CID 68815614
4-[(4-bromo-1-tritylimidazol-2-yl)-[(5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)methyl]amino]-N'-hydroxybenzenecarboximidamide
CID 86607935
4-[[(5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)-(1-methyl-5-phenylimidazol-2-yl)methyl]amino]benzonitrile
CID 68815212
4-[[(4-bromo-1-tritylimidazol-2-yl)-[3-[tert-butyl(dimethyl)silyl]oxy-5-ethoxy-2-fluorophenyl]methyl]amino]benzonitrile
CID 68816820
1-[3-[(4-bromo-1-tritylimidazol-2-yl)-hydroxymethyl]-5-ethyl-2-fluorophenyl]pyrrolidin-2-one
CID 68813034
(4-ethoxy-2,6-diethylphenyl)-(1-tritylimidazol-4-yl)methanol
CID 58951941
[6-[[(4-bromo-1-tritylimidazol-2-yl)-(3-ethoxy-5-ethyl-2-fluorophenyl)methyl]amino]isoquinolin-1-yl]-carboxycarbamic acid
CID 68815089
4-[(4-bromo-1-tritylimidazol-2-yl)-[(4-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)methyl]amino]benzonitrile
CID 69141287
4-[[(5-ethyl-2-fluoro-3-hydroxyphenyl)-[4-(2-methylsulfanylphenyl)-1-tritylimidazol-2-yl]methyl]amino]benzonitrile
CID 68812986
4-[[6-(dimethylamino)-2-pyridinyl]-[(5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)methyl]amino]benzenecarboximidamide;bis(2,2,2-trifluoroacetic acid)
CID 87585153
4-ethoxy-2-(2-propan-2-yloxyphenyl)pyridine
CID 159838337
2-[2-[(4-carbamimidoylanilino)-(5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)methyl]-1H-imidazol-5-yl]-N,N-dimethylbenzamide;bis(2,2,2-trifluoroacetic acid)
CID 87585967

Frequently Asked Questions

What is the IUPAC name of (5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)-(4-phenyl-1-tritylimidazol-2-yl)methanol?
The IUPAC name of (5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)-(4-phenyl-1-tritylimidazol-2-yl)methanol (CID 68813196) is (5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)-(4-phenyl-1-tritylimidazol-2-yl)methanol.
What is the SMILES notation for (5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)-(4-phenyl-1-tritylimidazol-2-yl)methanol?
The canonical SMILES for (5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)-(4-phenyl-1-tritylimidazol-2-yl)methanol is CCOc1cc(OC(C)C)c(F)c(C(O)c2nc(-c3ccccc3)cn2C(c2ccccc2)(c2ccccc2)c2ccccc2)c1.
What is the InChIKey of (5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)-(4-phenyl-1-tritylimidazol-2-yl)methanol?
The InChIKey is FHYGDFBUEISCAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37FN2O3/c1-4-45-33-25-34(37(41)36(26-33)46-28(2)3)38(44)39-42-35(29-17-9-5-10-18-29)27-43(39)40(30-19-11-6-12-20-30,31-21-13-7-14-22-31)32-23-15-8-16-24-32/h5-28,38,44H,4H2,1-3H3.
What are the key properties of (5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)-(4-phenyl-1-tritylimidazol-2-yl)methanol?
(5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)-(4-phenyl-1-tritylimidazol-2-yl)methanol has a molecular weight of 612.75 g/mol, XLogP of 8.80, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (5-ethoxy-2-fluoro-3-propan-2-yloxyphenyl)-(4-phenyl-1-tritylimidazol-2-yl)methanol is sourced from PubChem (CID 68813196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).