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

C21H22ClN3O3S — CID 78151281

IUPAC3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine
SMILESCS(=O)(=O)c1ccc(CN2CCOCC2c2ncc(-c3cccc(Cl)c3)[nH]2)cc1
InChIInChI=1S/C21H22ClN3O3S/c1-29(26,27)18-7-5-15(6-8-18)13-25-9-10-28-14-20(25)21-23-12-19(24-21)16-3-2-4-17(22)11-16/h2-8,11-12,20H,9-10,13-14H2,1H3,(H,23,24)
InChIKeyTYZIWVOCXPOFKZ-UHFFFAOYSA-N
MW431.95 g/mol
LogP3.71
Rot. Bonds5

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

3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine (PubChem CID 78151281) has the molecular formula C21H22ClN3O3S and a molecular weight of 431.95 g/mol. Its IUPAC name is 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine.

Molecular Properties

Compound Name3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine
PubChem CID78151281
Molecular FormulaC21H22ClN3O3S
Molecular Weight431.95 g/mol
Exact Mass431.11
IUPAC Name3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine
SMILESCS(=O)(=O)c1ccc(CN2CCOCC2c2ncc(-c3cccc(Cl)c3)[nH]2)cc1
InChIInChI=1S/C21H22ClN3O3S/c1-29(26,27)18-7-5-15(6-8-18)13-25-9-10-28-14-20(25)21-23-12-19(24-21)16-3-2-4-17(22)11-16/h2-8,11-12,20H,9-10,13-14H2,1H3,(H,23,24)
InChIKeyTYZIWVOCXPOFKZ-UHFFFAOYSA-N
XLogP3.71
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.95
LogP ≤ 53.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[(4-methylphenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
CID 78151147
(3R)-3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-(1H-imidazol-5-ylmethyl)morpholine
CID 75529629
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(2-fluorophenyl)methyl]morpholine
CID 162916385
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-methylmorpholine
CID 78151272
4-[(2-fluorophenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
CID 78151142
N-[4-[[3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenyl]acetamide
CID 78151226
4-[(1-methylindol-3-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
CID 78151146
4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline
CID 78151248
(3R)-4-[(1-methylbenzimidazol-2-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
CID 71694136
4-[(4-methylphenyl)methyl]-3-(5-pyridin-4-yl-1H-imidazol-2-yl)morpholine
CID 78151212
(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]-4-[(4-methylphenyl)methyl]morpholine
CID 56776036
2-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenol
CID 78151252

Frequently Asked Questions

What is the IUPAC name of 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine?
The IUPAC name of 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine (CID 78151281) is 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine.
What is the SMILES notation for 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine?
The canonical SMILES for 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine is CS(=O)(=O)c1ccc(CN2CCOCC2c2ncc(-c3cccc(Cl)c3)[nH]2)cc1.
What is the InChIKey of 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine?
The InChIKey is TYZIWVOCXPOFKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22ClN3O3S/c1-29(26,27)18-7-5-15(6-8-18)13-25-9-10-28-14-20(25)21-23-12-19(24-21)16-3-2-4-17(22)11-16/h2-8,11-12,20H,9-10,13-14H2,1H3,(H,23,24).
What are the key properties of 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine?
3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine has a molecular weight of 431.95 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine is sourced from PubChem (CID 78151281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).