1-[4-[[3-fluoro-5-(4-methylsulfinyloxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole

C23H25FN2O3S — CID 11304929

IUPAC1-[4-[[3-fluoro-5-(4-methylsulfinyloxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole
SMILESCc1nccn1-c1ccc(COc2cc(F)cc(C3(S(C)=O)CCOCC3)c2)cc1
InChIInChI=1S/C23H25FN2O3S/c1-17-25-9-10-26(17)21-5-3-18(4-6-21)16-29-22-14-19(13-20(24)15-22)23(30(2)27)7-11-28-12-8-23/h3-6,9-10,13-15H,7-8,11-12,16H2,1-2H3
InChIKeyFPDSXNHWRBTRHB-UHFFFAOYSA-N
MW428.53 g/mol
LogP4.28
Rot. Bonds6

About 1-[4-[[3-fluoro-5-(4-methylsulfinyloxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole

1-[4-[[3-fluoro-5-(4-methylsulfinyloxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole (PubChem CID 11304929) has the molecular formula C23H25FN2O3S and a molecular weight of 428.53 g/mol. Its IUPAC name is 1-[4-[[3-fluoro-5-(4-methylsulfinyloxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole.

Molecular Properties

Compound Name1-[4-[[3-fluoro-5-(4-methylsulfinyloxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole
PubChem CID11304929
Molecular FormulaC23H25FN2O3S
Molecular Weight428.53 g/mol
Exact Mass428.16
IUPAC Name1-[4-[[3-fluoro-5-(4-methylsulfinyloxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole
SMILESCc1nccn1-c1ccc(COc2cc(F)cc(C3(S(C)=O)CCOCC3)c2)cc1
InChIInChI=1S/C23H25FN2O3S/c1-17-25-9-10-26(17)21-5-3-18(4-6-21)16-29-22-14-19(13-20(24)15-22)23(30(2)27)7-11-28-12-8-23/h3-6,9-10,13-15H,7-8,11-12,16H2,1-2H3
InChIKeyFPDSXNHWRBTRHB-UHFFFAOYSA-N
XLogP4.28
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500428.53
LogP ≤ 54.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

Analyze 1-[4-[[3-fluoro-5-(4-methylsulfinyloxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole 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-[4-[[3-fluoro-5-(4-methylsulfinyloxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole?
The IUPAC name of 1-[4-[[3-fluoro-5-(4-methylsulfinyloxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole (CID 11304929) is 1-[4-[[3-fluoro-5-(4-methylsulfinyloxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole.
What is the SMILES notation for 1-[4-[[3-fluoro-5-(4-methylsulfinyloxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole?
The canonical SMILES for 1-[4-[[3-fluoro-5-(4-methylsulfinyloxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole is Cc1nccn1-c1ccc(COc2cc(F)cc(C3(S(C)=O)CCOCC3)c2)cc1.
What is the InChIKey of 1-[4-[[3-fluoro-5-(4-methylsulfinyloxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole?
The InChIKey is FPDSXNHWRBTRHB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25FN2O3S/c1-17-25-9-10-26(17)21-5-3-18(4-6-21)16-29-22-14-19(13-20(24)15-22)23(30(2)27)7-11-28-12-8-23/h3-6,9-10,13-15H,7-8,11-12,16H2,1-2H3.
What are the key properties of 1-[4-[[3-fluoro-5-(4-methylsulfinyloxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole?
1-[4-[[3-fluoro-5-(4-methylsulfinyloxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole has a molecular weight of 428.53 g/mol, XLogP of 4.28, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-[[3-fluoro-5-(4-methylsulfinyloxan-4-yl)phenoxy]methyl]phenyl]-2-methylimidazole is sourced from PubChem (CID 11304929), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).