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

C22H25N3O3S — CID 78151147

IUPAC4-[(4-methylphenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
SMILESCc1ccc(CN2CCOCC2c2ncc(-c3ccc(S(C)(=O)=O)cc3)[nH]2)cc1
InChIInChI=1S/C22H25N3O3S/c1-16-3-5-17(6-4-16)14-25-11-12-28-15-21(25)22-23-13-20(24-22)18-7-9-19(10-8-18)29(2,26)27/h3-10,13,21H,11-12,14-15H2,1-2H3,(H,23,24)
InChIKeyPTHJQMPLRZXFHI-UHFFFAOYSA-N
MW411.53 g/mol
LogP3.36
Rot. Bonds5

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

4-[(4-methylphenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine (PubChem CID 78151147) has the molecular formula C22H25N3O3S and a molecular weight of 411.53 g/mol. Its IUPAC name is 4-[(4-methylphenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine.

Molecular Properties

Compound Name4-[(4-methylphenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
PubChem CID78151147
Molecular FormulaC22H25N3O3S
Molecular Weight411.53 g/mol
Exact Mass411.16
IUPAC Name4-[(4-methylphenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
SMILESCc1ccc(CN2CCOCC2c2ncc(-c3ccc(S(C)(=O)=O)cc3)[nH]2)cc1
InChIInChI=1S/C22H25N3O3S/c1-16-3-5-17(6-4-16)14-25-11-12-28-15-21(25)22-23-13-20(24-22)18-7-9-19(10-8-18)29(2,26)27/h3-10,13,21H,11-12,14-15H2,1-2H3,(H,23,24)
InChIKeyPTHJQMPLRZXFHI-UHFFFAOYSA-N
XLogP3.36
TPSA75.29 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500411.53
LogP ≤ 53.36
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-[5-(3-chlorophenyl)-1H-imidazol-2-yl]-4-[(4-methylsulfonylphenyl)methyl]morpholine
CID 78151281
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
4-[(2-fluorophenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
CID 78151142
4-[(1-methylindol-3-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
CID 78151146
(3R)-4-[(1-methylbenzimidazol-2-yl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine
CID 71694136
4-[[(3R)-3-[5-(4-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]benzoic acid
CID 56776019
N-[4-[[3-[5-(3-fluorophenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]phenyl]acetamide
CID 78151226
3-(5-methyl-1H-imidazol-2-yl)-4-[[4-(trifluoromethyl)phenyl]methyl]morpholine
CID 110105489
4-[[3-[5-(3-methoxyphenyl)-1H-imidazol-2-yl]morpholin-4-yl]methyl]-N,N-dimethylaniline
CID 78151248
(3R)-4-(2,2-dimethylpropyl)-3-(5-phenyl-1H-imidazol-2-yl)morpholine
CID 56775913
4-[[(3R)-3-(5-tert-butyl-1H-imidazol-2-yl)morpholin-4-yl]methyl]benzoic acid
CID 71694284

Frequently Asked Questions

What is the IUPAC name of 4-[(4-methylphenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine?
The IUPAC name of 4-[(4-methylphenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine (CID 78151147) is 4-[(4-methylphenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine.
What is the SMILES notation for 4-[(4-methylphenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine?
The canonical SMILES for 4-[(4-methylphenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine is Cc1ccc(CN2CCOCC2c2ncc(-c3ccc(S(C)(=O)=O)cc3)[nH]2)cc1.
What is the InChIKey of 4-[(4-methylphenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine?
The InChIKey is PTHJQMPLRZXFHI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25N3O3S/c1-16-3-5-17(6-4-16)14-25-11-12-28-15-21(25)22-23-13-20(24-22)18-7-9-19(10-8-18)29(2,26)27/h3-10,13,21H,11-12,14-15H2,1-2H3,(H,23,24).
What are the key properties of 4-[(4-methylphenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine?
4-[(4-methylphenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine has a molecular weight of 411.53 g/mol, XLogP of 3.36, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[(4-methylphenyl)methyl]-3-[5-(4-methylsulfonylphenyl)-1H-imidazol-2-yl]morpholine is sourced from PubChem (CID 78151147), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).