4-[2-methyl-5-(5-phenyl-1H-imidazol-2-yl)phenyl]sulfinylmorpholine

C20H21N3O2S — CID 167108894

IUPAC4-[2-methyl-5-(5-phenyl-1H-imidazol-2-yl)phenyl]sulfinylmorpholine
SMILESCc1ccc(-c2ncc(-c3ccccc3)[nH]2)cc1S(=O)N1CCOCC1
InChIInChI=1S/C20H21N3O2S/c1-15-7-8-17(13-19(15)26(24)23-9-11-25-12-10-23)20-21-14-18(22-20)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,21,22)
InChIKeyXSTNCZFLMDAHNN-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.41
Rot. Bonds4

About 4-[2-methyl-5-(5-phenyl-1H-imidazol-2-yl)phenyl]sulfinylmorpholine

4-[2-methyl-5-(5-phenyl-1H-imidazol-2-yl)phenyl]sulfinylmorpholine (PubChem CID 167108894) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 4-[2-methyl-5-(5-phenyl-1H-imidazol-2-yl)phenyl]sulfinylmorpholine.

Molecular Properties

Compound Name4-[2-methyl-5-(5-phenyl-1H-imidazol-2-yl)phenyl]sulfinylmorpholine
PubChem CID167108894
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name4-[2-methyl-5-(5-phenyl-1H-imidazol-2-yl)phenyl]sulfinylmorpholine
SMILESCc1ccc(-c2ncc(-c3ccccc3)[nH]2)cc1S(=O)N1CCOCC1
InChIInChI=1S/C20H21N3O2S/c1-15-7-8-17(13-19(15)26(24)23-9-11-25-12-10-23)20-21-14-18(22-20)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,21,22)
InChIKeyXSTNCZFLMDAHNN-UHFFFAOYSA-N
XLogP3.41
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-5-(5-phenyl-1H-imidazol-2-yl)phenyl]sulfinylmorpholine?
The IUPAC name of 4-[2-methyl-5-(5-phenyl-1H-imidazol-2-yl)phenyl]sulfinylmorpholine (CID 167108894) is 4-[2-methyl-5-(5-phenyl-1H-imidazol-2-yl)phenyl]sulfinylmorpholine.
What is the SMILES notation for 4-[2-methyl-5-(5-phenyl-1H-imidazol-2-yl)phenyl]sulfinylmorpholine?
The canonical SMILES for 4-[2-methyl-5-(5-phenyl-1H-imidazol-2-yl)phenyl]sulfinylmorpholine is Cc1ccc(-c2ncc(-c3ccccc3)[nH]2)cc1S(=O)N1CCOCC1.
What is the InChIKey of 4-[2-methyl-5-(5-phenyl-1H-imidazol-2-yl)phenyl]sulfinylmorpholine?
The InChIKey is XSTNCZFLMDAHNN-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-15-7-8-17(13-19(15)26(24)23-9-11-25-12-10-23)20-21-14-18(22-20)16-5-3-2-4-6-16/h2-8,13-14H,9-12H2,1H3,(H,21,22).
What are the key properties of 4-[2-methyl-5-(5-phenyl-1H-imidazol-2-yl)phenyl]sulfinylmorpholine?
4-[2-methyl-5-(5-phenyl-1H-imidazol-2-yl)phenyl]sulfinylmorpholine has a molecular weight of 367.47 g/mol, XLogP of 3.41, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-5-(5-phenyl-1H-imidazol-2-yl)phenyl]sulfinylmorpholine is sourced from PubChem (CID 167108894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).