4-[(2-fluorophenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine

C21H22FN3O3S — CID 78151142

IUPAC4-[(2-fluorophenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
SMILESCS(=O)(=O)c1ccc(-c2cnc(C3COCCN3Cc3ccccc3F)[nH]2)cc1
InChIInChI=1S/C21H22FN3O3S/c1-29(26,27)17-8-6-15(7-9-17)19-12-23-21(24-19)20-14-28-11-10-25(20)13-16-4-2-3-5-18(16)22/h2-9,12,20H,10-11,13-14H2,1H3,(H,23,24)
InChIKeySGWRWHFHIWUPOQ-UHFFFAOYSA-N
MW415.49 g/mol
LogP3.19
Rot. Bonds5

About 4-[(2-fluorophenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine

4-[(2-fluorophenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine (PubChem CID 78151142) has the molecular formula C21H22FN3O3S and a molecular weight of 415.49 g/mol. Its IUPAC name is 4-[(2-fluorophenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[(2-fluorophenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
PubChem CID78151142
Molecular FormulaC21H22FN3O3S
Molecular Weight415.49 g/mol
Exact Mass415.14
IUPAC Name4-[(2-fluorophenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
SMILESCS(=O)(=O)c1ccc(-c2cnc(C3COCCN3Cc3ccccc3F)[nH]2)cc1
InChIInChI=1S/C21H22FN3O3S/c1-29(26,27)17-8-6-15(7-9-17)19-12-23-21(24-19)20-14-28-11-10-25(20)13-16-4-2-3-5-18(16)22/h2-9,12,20H,10-11,13-14H2,1H3,(H,23,24)
InChIKeySGWRWHFHIWUPOQ-UHFFFAOYSA-N
XLogP3.19
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.49
LogP ≤ 53.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-[(2-fluorophenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine?
The IUPAC name of 4-[(2-fluorophenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine (CID 78151142) is 4-[(2-fluorophenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine.
What is the SMILES notation for 4-[(2-fluorophenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine?
The canonical SMILES for 4-[(2-fluorophenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine is CS(=O)(=O)c1ccc(-c2cnc(C3COCCN3Cc3ccccc3F)[nH]2)cc1.
What is the InChIKey of 4-[(2-fluorophenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine?
The InChIKey is SGWRWHFHIWUPOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22FN3O3S/c1-29(26,27)17-8-6-15(7-9-17)19-12-23-21(24-19)20-14-28-11-10-25(20)13-16-4-2-3-5-18(16)22/h2-9,12,20H,10-11,13-14H2,1H3,(H,23,24).
What are the key properties of 4-[(2-fluorophenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine?
4-[(2-fluorophenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine has a molecular weight of 415.49 g/mol, XLogP of 3.19, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(2-fluorophenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine is sourced from PubChem (CID 78151142), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).