2-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide

C23H20FN3O3S — CID 1139039

IUPAC2-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(-n2c(-c3ccc(F)cc3)cnc2SCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C23H20FN3O3S/c1-29-19-10-8-18(9-11-19)27-21(16-4-6-17(24)7-5-16)14-26-23(27)31-15-22(28)25-13-20-3-2-12-30-20/h2-12,14H,13,15H2,1H3,(H,25,28)
InChIKeyQMHJOMAVDKSCRM-UHFFFAOYSA-N
MW437.50 g/mol
LogP4.69
Rot. Bonds8

About 2-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide

2-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (PubChem CID 1139039) has the molecular formula C23H20FN3O3S and a molecular weight of 437.50 g/mol. Its IUPAC name is 2-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.

Molecular Properties

Compound Name2-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
PubChem CID1139039
Molecular FormulaC23H20FN3O3S
Molecular Weight437.50 g/mol
Exact Mass437.12
IUPAC Name2-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide
SMILESCOc1ccc(-n2c(-c3ccc(F)cc3)cnc2SCC(=O)NCc2ccco2)cc1
InChIInChI=1S/C23H20FN3O3S/c1-29-19-10-8-18(9-11-19)27-21(16-4-6-17(24)7-5-16)14-26-23(27)31-15-22(28)25-13-20-3-2-12-30-20/h2-12,14H,13,15H2,1H3,(H,25,28)
InChIKeyQMHJOMAVDKSCRM-UHFFFAOYSA-N
XLogP4.69
TPSA69.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.50
LogP ≤ 54.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The IUPAC name of 2-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide (CID 1139039) is 2-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide.
What is the SMILES notation for 2-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The canonical SMILES for 2-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is COc1ccc(-n2c(-c3ccc(F)cc3)cnc2SCC(=O)NCc2ccco2)cc1.
What is the InChIKey of 2-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
The InChIKey is QMHJOMAVDKSCRM-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20FN3O3S/c1-29-19-10-8-18(9-11-19)27-21(16-4-6-17(24)7-5-16)14-26-23(27)31-15-22(28)25-13-20-3-2-12-30-20/h2-12,14H,13,15H2,1H3,(H,25,28).
What are the key properties of 2-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide?
2-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide has a molecular weight of 437.50 g/mol, XLogP of 4.69, 8 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(4-fluorophenyl)-1-(4-methoxyphenyl)imidazol-2-yl]sulfanyl-N-(furan-2-ylmethyl)acetamide is sourced from PubChem (CID 1139039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).