(2-methylsulfanyl-3-phenylimidazol-4-yl)-morpholin-4-ylmethanone

C15H17N3O2S — CID 9120187

IUPAC(2-methylsulfanyl-3-phenylimidazol-4-yl)-morpholin-4-ylmethanone
SMILESCSc1ncc(C(=O)N2CCOCC2)n1-c1ccccc1
InChIInChI=1S/C15H17N3O2S/c1-21-15-16-11-13(14(19)17-7-9-20-10-8-17)18(15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyOKFLASIMGGVBNP-UHFFFAOYSA-N
MW303.39 g/mol
LogP2.07
Rot. Bonds3

About (2-methylsulfanyl-3-phenylimidazol-4-yl)-morpholin-4-ylmethanone

(2-methylsulfanyl-3-phenylimidazol-4-yl)-morpholin-4-ylmethanone (PubChem CID 9120187) has the molecular formula C15H17N3O2S and a molecular weight of 303.39 g/mol. Its IUPAC name is (2-methylsulfanyl-3-phenylimidazol-4-yl)-morpholin-4-ylmethanone.

Molecular Properties

Compound Name(2-methylsulfanyl-3-phenylimidazol-4-yl)-morpholin-4-ylmethanone
PubChem CID9120187
Molecular FormulaC15H17N3O2S
Molecular Weight303.39 g/mol
Exact Mass303.10
IUPAC Name(2-methylsulfanyl-3-phenylimidazol-4-yl)-morpholin-4-ylmethanone
SMILESCSc1ncc(C(=O)N2CCOCC2)n1-c1ccccc1
InChIInChI=1S/C15H17N3O2S/c1-21-15-16-11-13(14(19)17-7-9-20-10-8-17)18(15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3
InChIKeyOKFLASIMGGVBNP-UHFFFAOYSA-N
XLogP2.07
TPSA47.36 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.39
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-methylsulfanyl-3-phenylimidazol-4-yl)-morpholin-4-ylmethanone?
The IUPAC name of (2-methylsulfanyl-3-phenylimidazol-4-yl)-morpholin-4-ylmethanone (CID 9120187) is (2-methylsulfanyl-3-phenylimidazol-4-yl)-morpholin-4-ylmethanone.
What is the SMILES notation for (2-methylsulfanyl-3-phenylimidazol-4-yl)-morpholin-4-ylmethanone?
The canonical SMILES for (2-methylsulfanyl-3-phenylimidazol-4-yl)-morpholin-4-ylmethanone is CSc1ncc(C(=O)N2CCOCC2)n1-c1ccccc1.
What is the InChIKey of (2-methylsulfanyl-3-phenylimidazol-4-yl)-morpholin-4-ylmethanone?
The InChIKey is OKFLASIMGGVBNP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3O2S/c1-21-15-16-11-13(14(19)17-7-9-20-10-8-17)18(15)12-5-3-2-4-6-12/h2-6,11H,7-10H2,1H3.
What are the key properties of (2-methylsulfanyl-3-phenylimidazol-4-yl)-morpholin-4-ylmethanone?
(2-methylsulfanyl-3-phenylimidazol-4-yl)-morpholin-4-ylmethanone has a molecular weight of 303.39 g/mol, XLogP of 2.07, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-methylsulfanyl-3-phenylimidazol-4-yl)-morpholin-4-ylmethanone is sourced from PubChem (CID 9120187), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).