4-hydroxy-5-[[4-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]naphthalen-1-yl]methyl]-3H-1,3-thiazol-2-one

C26H23N3O3S — CID 54485036

IUPAC4-hydroxy-5-[[4-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]naphthalen-1-yl]methyl]-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(-c2ccccc2)nc1CCOc1ccc(Cc2sc(=O)[nH]c2O)c2ccccc12
InChIInChI=1S/C26H23N3O3S/c1-16-21(28-24(27-16)17-7-3-2-4-8-17)13-14-32-22-12-11-18(19-9-5-6-10-20(19)22)15-23-25(30)29-26(31)33-23/h2-12,30H,13-15H2,1H3,(H,27,28)(H,29,31)
InChIKeyXRRWFCUCFLTURW-UHFFFAOYSA-N
MW457.56 g/mol
LogP5.21
Rot. Bonds7

About 4-hydroxy-5-[[4-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]naphthalen-1-yl]methyl]-3H-1,3-thiazol-2-one

4-hydroxy-5-[[4-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]naphthalen-1-yl]methyl]-3H-1,3-thiazol-2-one (PubChem CID 54485036) has the molecular formula C26H23N3O3S and a molecular weight of 457.56 g/mol. Its IUPAC name is 4-hydroxy-5-[[4-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]naphthalen-1-yl]methyl]-3H-1,3-thiazol-2-one.

Molecular Properties

Compound Name4-hydroxy-5-[[4-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]naphthalen-1-yl]methyl]-3H-1,3-thiazol-2-one
PubChem CID54485036
Molecular FormulaC26H23N3O3S
Molecular Weight457.56 g/mol
Exact Mass457.15
IUPAC Name4-hydroxy-5-[[4-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]naphthalen-1-yl]methyl]-3H-1,3-thiazol-2-one
SMILESCc1[nH]c(-c2ccccc2)nc1CCOc1ccc(Cc2sc(=O)[nH]c2O)c2ccccc12
InChIInChI=1S/C26H23N3O3S/c1-16-21(28-24(27-16)17-7-3-2-4-8-17)13-14-32-22-12-11-18(19-9-5-6-10-20(19)22)15-23-25(30)29-26(31)33-23/h2-12,30H,13-15H2,1H3,(H,27,28)(H,29,31)
InChIKeyXRRWFCUCFLTURW-UHFFFAOYSA-N
XLogP5.21
TPSA91.00 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.56
LogP ≤ 55.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-hydroxy-5-[[4-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]naphthalen-1-yl]methyl]-3H-1,3-thiazol-2-one?
The IUPAC name of 4-hydroxy-5-[[4-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]naphthalen-1-yl]methyl]-3H-1,3-thiazol-2-one (CID 54485036) is 4-hydroxy-5-[[4-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]naphthalen-1-yl]methyl]-3H-1,3-thiazol-2-one.
What is the SMILES notation for 4-hydroxy-5-[[4-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]naphthalen-1-yl]methyl]-3H-1,3-thiazol-2-one?
The canonical SMILES for 4-hydroxy-5-[[4-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]naphthalen-1-yl]methyl]-3H-1,3-thiazol-2-one is Cc1[nH]c(-c2ccccc2)nc1CCOc1ccc(Cc2sc(=O)[nH]c2O)c2ccccc12.
What is the InChIKey of 4-hydroxy-5-[[4-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]naphthalen-1-yl]methyl]-3H-1,3-thiazol-2-one?
The InChIKey is XRRWFCUCFLTURW-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H23N3O3S/c1-16-21(28-24(27-16)17-7-3-2-4-8-17)13-14-32-22-12-11-18(19-9-5-6-10-20(19)22)15-23-25(30)29-26(31)33-23/h2-12,30H,13-15H2,1H3,(H,27,28)(H,29,31).
What are the key properties of 4-hydroxy-5-[[4-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]naphthalen-1-yl]methyl]-3H-1,3-thiazol-2-one?
4-hydroxy-5-[[4-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]naphthalen-1-yl]methyl]-3H-1,3-thiazol-2-one has a molecular weight of 457.56 g/mol, XLogP of 5.21, 7 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-hydroxy-5-[[4-[2-(5-methyl-2-phenyl-1H-imidazol-4-yl)ethoxy]naphthalen-1-yl]methyl]-3H-1,3-thiazol-2-one is sourced from PubChem (CID 54485036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).