5-(2-methylsulfanylethyl)-1-(oxan-4-ylmethyl)-4-phenylimidazole

C18H24N2OS — CID 50982083

IUPAC5-(2-methylsulfanylethyl)-1-(oxan-4-ylmethyl)-4-phenylimidazole
SMILESCSCCc1c(-c2ccccc2)ncn1CC1CCOCC1
InChIInChI=1S/C18H24N2OS/c1-22-12-9-17-18(16-5-3-2-4-6-16)19-14-20(17)13-15-7-10-21-11-8-15/h2-6,14-15H,7-13H2,1H3
InChIKeyLUZMRJSXFMIYFM-UHFFFAOYSA-N
MW316.47 g/mol
LogP3.88
Rot. Bonds6

About 5-(2-methylsulfanylethyl)-1-(oxan-4-ylmethyl)-4-phenylimidazole

5-(2-methylsulfanylethyl)-1-(oxan-4-ylmethyl)-4-phenylimidazole (PubChem CID 50982083) has the molecular formula C18H24N2OS and a molecular weight of 316.47 g/mol. Its IUPAC name is 5-(2-methylsulfanylethyl)-1-(oxan-4-ylmethyl)-4-phenylimidazole.

Molecular Properties

Compound Name5-(2-methylsulfanylethyl)-1-(oxan-4-ylmethyl)-4-phenylimidazole
PubChem CID50982083
Molecular FormulaC18H24N2OS
Molecular Weight316.47 g/mol
Exact Mass316.16
IUPAC Name5-(2-methylsulfanylethyl)-1-(oxan-4-ylmethyl)-4-phenylimidazole
SMILESCSCCc1c(-c2ccccc2)ncn1CC1CCOCC1
InChIInChI=1S/C18H24N2OS/c1-22-12-9-17-18(16-5-3-2-4-6-16)19-14-20(17)13-15-7-10-21-11-8-15/h2-6,14-15H,7-13H2,1H3
InChIKeyLUZMRJSXFMIYFM-UHFFFAOYSA-N
XLogP3.88
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.47
LogP ≤ 53.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-(2-methylsulfanylethyl)-1-(oxan-4-ylmethyl)-4-phenylimidazole?
The IUPAC name of 5-(2-methylsulfanylethyl)-1-(oxan-4-ylmethyl)-4-phenylimidazole (CID 50982083) is 5-(2-methylsulfanylethyl)-1-(oxan-4-ylmethyl)-4-phenylimidazole.
What is the SMILES notation for 5-(2-methylsulfanylethyl)-1-(oxan-4-ylmethyl)-4-phenylimidazole?
The canonical SMILES for 5-(2-methylsulfanylethyl)-1-(oxan-4-ylmethyl)-4-phenylimidazole is CSCCc1c(-c2ccccc2)ncn1CC1CCOCC1.
What is the InChIKey of 5-(2-methylsulfanylethyl)-1-(oxan-4-ylmethyl)-4-phenylimidazole?
The InChIKey is LUZMRJSXFMIYFM-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2OS/c1-22-12-9-17-18(16-5-3-2-4-6-16)19-14-20(17)13-15-7-10-21-11-8-15/h2-6,14-15H,7-13H2,1H3.
What are the key properties of 5-(2-methylsulfanylethyl)-1-(oxan-4-ylmethyl)-4-phenylimidazole?
5-(2-methylsulfanylethyl)-1-(oxan-4-ylmethyl)-4-phenylimidazole has a molecular weight of 316.47 g/mol, XLogP of 3.88, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2-methylsulfanylethyl)-1-(oxan-4-ylmethyl)-4-phenylimidazole is sourced from PubChem (CID 50982083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).