1-cyclopropyl-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-phenylimidazole

C20H19FN2OS — CID 18269275

IUPAC1-cyclopropyl-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-phenylimidazole
SMILESCOc1ccc(F)cc1CSc1ncc(-c2ccccc2)n1C1CC1
InChIInChI=1S/C20H19FN2OS/c1-24-19-10-7-16(21)11-15(19)13-25-20-22-12-18(23(20)17-8-9-17)14-5-3-2-4-6-14/h2-7,10-12,17H,8-9,13H2,1H3
InChIKeyHUCBIXALSZURDT-UHFFFAOYSA-N
MW354.45 g/mol
LogP5.32
Rot. Bonds6

About 1-cyclopropyl-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-phenylimidazole

1-cyclopropyl-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-phenylimidazole (PubChem CID 18269275) has the molecular formula C20H19FN2OS and a molecular weight of 354.45 g/mol. Its IUPAC name is 1-cyclopropyl-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-phenylimidazole.

Molecular Properties

Compound Name1-cyclopropyl-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-phenylimidazole
PubChem CID18269275
Molecular FormulaC20H19FN2OS
Molecular Weight354.45 g/mol
Exact Mass354.12
IUPAC Name1-cyclopropyl-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-phenylimidazole
SMILESCOc1ccc(F)cc1CSc1ncc(-c2ccccc2)n1C1CC1
InChIInChI=1S/C20H19FN2OS/c1-24-19-10-7-16(21)11-15(19)13-25-20-22-12-18(23(20)17-8-9-17)14-5-3-2-4-6-14/h2-7,10-12,17H,8-9,13H2,1H3
InChIKeyHUCBIXALSZURDT-UHFFFAOYSA-N
XLogP5.32
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500354.45
LogP ≤ 55.32
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-phenylimidazole?
The IUPAC name of 1-cyclopropyl-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-phenylimidazole (CID 18269275) is 1-cyclopropyl-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-phenylimidazole.
What is the SMILES notation for 1-cyclopropyl-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-phenylimidazole?
The canonical SMILES for 1-cyclopropyl-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-phenylimidazole is COc1ccc(F)cc1CSc1ncc(-c2ccccc2)n1C1CC1.
What is the InChIKey of 1-cyclopropyl-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-phenylimidazole?
The InChIKey is HUCBIXALSZURDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19FN2OS/c1-24-19-10-7-16(21)11-15(19)13-25-20-22-12-18(23(20)17-8-9-17)14-5-3-2-4-6-14/h2-7,10-12,17H,8-9,13H2,1H3.
What are the key properties of 1-cyclopropyl-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-phenylimidazole?
1-cyclopropyl-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-phenylimidazole has a molecular weight of 354.45 g/mol, XLogP of 5.32, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-2-[(5-fluoro-2-methoxyphenyl)methylsulfanyl]-5-phenylimidazole is sourced from PubChem (CID 18269275), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).