1-(3-chloro-4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole

C17H15ClN2OS — CID 3479862

IUPAC1-(3-chloro-4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole
SMILESCOc1ccc(-n2cc(-c3ccccc3)nc2SC)cc1Cl
InChIInChI=1S/C17H15ClN2OS/c1-21-16-9-8-13(10-14(16)18)20-11-15(19-17(20)22-2)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyOVAQGTOJGQCBSI-UHFFFAOYSA-N
MW330.84 g/mol
LogP4.92
Rot. Bonds4

About 1-(3-chloro-4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole

1-(3-chloro-4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole (PubChem CID 3479862) has the molecular formula C17H15ClN2OS and a molecular weight of 330.84 g/mol. Its IUPAC name is 1-(3-chloro-4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole.

Molecular Properties

Compound Name1-(3-chloro-4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole
PubChem CID3479862
Molecular FormulaC17H15ClN2OS
Molecular Weight330.84 g/mol
Exact Mass330.06
IUPAC Name1-(3-chloro-4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole
SMILESCOc1ccc(-n2cc(-c3ccccc3)nc2SC)cc1Cl
InChIInChI=1S/C17H15ClN2OS/c1-21-16-9-8-13(10-14(16)18)20-11-15(19-17(20)22-2)12-6-4-3-5-7-12/h3-11H,1-2H3
InChIKeyOVAQGTOJGQCBSI-UHFFFAOYSA-N
XLogP4.92
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.84
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole?
The IUPAC name of 1-(3-chloro-4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole (CID 3479862) is 1-(3-chloro-4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole.
What is the SMILES notation for 1-(3-chloro-4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole?
The canonical SMILES for 1-(3-chloro-4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole is COc1ccc(-n2cc(-c3ccccc3)nc2SC)cc1Cl.
What is the InChIKey of 1-(3-chloro-4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole?
The InChIKey is OVAQGTOJGQCBSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15ClN2OS/c1-21-16-9-8-13(10-14(16)18)20-11-15(19-17(20)22-2)12-6-4-3-5-7-12/h3-11H,1-2H3.
What are the key properties of 1-(3-chloro-4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole?
1-(3-chloro-4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole has a molecular weight of 330.84 g/mol, XLogP of 4.92, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-methoxyphenyl)-2-methylsulfanyl-4-phenylimidazole is sourced from PubChem (CID 3479862), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).