1-[3-[4-fluoro-3-(methoxymethyl)phenyl]phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol

C40H37FN2O2 — CID 18668542

IUPAC1-[3-[4-fluoro-3-(methoxymethyl)phenyl]phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
SMILESCOCc1cc(-c2cccc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)c2)ccc1F
InChIInChI=1S/C40H37FN2O2/c1-29(2)40(44,36-21-13-14-30(25-36)31-22-23-37(41)32(24-31)27-45-3)38-26-43(28-42-38)39(33-15-7-4-8-16-33,34-17-9-5-10-18-34)35-19-11-6-12-20-35/h4-26,28-29,44H,27H2,1-3H3
InChIKeyMUPGJBKFRIJPSO-UHFFFAOYSA-N
MW596.75 g/mol
LogP8.57
Rot. Bonds10

About 1-[3-[4-fluoro-3-(methoxymethyl)phenyl]phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol

1-[3-[4-fluoro-3-(methoxymethyl)phenyl]phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol (PubChem CID 18668542) has the molecular formula C40H37FN2O2 and a molecular weight of 596.75 g/mol. Its IUPAC name is 1-[3-[4-fluoro-3-(methoxymethyl)phenyl]phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol.

Molecular Properties

Compound Name1-[3-[4-fluoro-3-(methoxymethyl)phenyl]phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
PubChem CID18668542
Molecular FormulaC40H37FN2O2
Molecular Weight596.75 g/mol
Exact Mass596.28
IUPAC Name1-[3-[4-fluoro-3-(methoxymethyl)phenyl]phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol
SMILESCOCc1cc(-c2cccc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)c2)ccc1F
InChIInChI=1S/C40H37FN2O2/c1-29(2)40(44,36-21-13-14-30(25-36)31-22-23-37(41)32(24-31)27-45-3)38-26-43(28-42-38)39(33-15-7-4-8-16-33,34-17-9-5-10-18-34)35-19-11-6-12-20-35/h4-26,28-29,44H,27H2,1-3H3
InChIKeyMUPGJBKFRIJPSO-UHFFFAOYSA-N
XLogP8.57
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500596.75
LogP ≤ 58.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[3-[4-fluoro-3-(methoxymethyl)phenyl]phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol with MolForge

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

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-[3-[4-fluoro-3-(methoxymethyl)phenyl]phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol?
The IUPAC name of 1-[3-[4-fluoro-3-(methoxymethyl)phenyl]phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol (CID 18668542) is 1-[3-[4-fluoro-3-(methoxymethyl)phenyl]phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol.
What is the SMILES notation for 1-[3-[4-fluoro-3-(methoxymethyl)phenyl]phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol?
The canonical SMILES for 1-[3-[4-fluoro-3-(methoxymethyl)phenyl]phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol is COCc1cc(-c2cccc(C(O)(c3cn(C(c4ccccc4)(c4ccccc4)c4ccccc4)cn3)C(C)C)c2)ccc1F.
What is the InChIKey of 1-[3-[4-fluoro-3-(methoxymethyl)phenyl]phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol?
The InChIKey is MUPGJBKFRIJPSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C40H37FN2O2/c1-29(2)40(44,36-21-13-14-30(25-36)31-22-23-37(41)32(24-31)27-45-3)38-26-43(28-42-38)39(33-15-7-4-8-16-33,34-17-9-5-10-18-34)35-19-11-6-12-20-35/h4-26,28-29,44H,27H2,1-3H3.
What are the key properties of 1-[3-[4-fluoro-3-(methoxymethyl)phenyl]phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol?
1-[3-[4-fluoro-3-(methoxymethyl)phenyl]phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol has a molecular weight of 596.75 g/mol, XLogP of 8.57, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[4-fluoro-3-(methoxymethyl)phenyl]phenyl]-2-methyl-1-(1-tritylimidazol-4-yl)propan-1-ol is sourced from PubChem (CID 18668542), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).