5-[[4-[(1-cyclopentylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

C23H23N3O3S — CID 127027660

IUPAC5-[[4-[(1-cyclopentylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(OCc3nc4ccccc4n3C3CCCC3)cc2)S1
InChIInChI=1S/C23H23N3O3S/c27-22-20(30-23(28)25-22)13-15-9-11-17(12-10-15)29-14-21-24-18-7-3-4-8-19(18)26(21)16-5-1-2-6-16/h3-4,7-12,16,20H,1-2,5-6,13-14H2,(H,25,27,28)
InChIKeyHFBNARMVGPKCOY-UHFFFAOYSA-N
MW421.52 g/mol
LogP4.62
Rot. Bonds6

About 5-[[4-[(1-cyclopentylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione

5-[[4-[(1-cyclopentylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (PubChem CID 127027660) has the molecular formula C23H23N3O3S and a molecular weight of 421.52 g/mol. Its IUPAC name is 5-[[4-[(1-cyclopentylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.

Molecular Properties

Compound Name5-[[4-[(1-cyclopentylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
PubChem CID127027660
Molecular FormulaC23H23N3O3S
Molecular Weight421.52 g/mol
Exact Mass421.15
IUPAC Name5-[[4-[(1-cyclopentylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
SMILESO=C1NC(=O)C(Cc2ccc(OCc3nc4ccccc4n3C3CCCC3)cc2)S1
InChIInChI=1S/C23H23N3O3S/c27-22-20(30-23(28)25-22)13-15-9-11-17(12-10-15)29-14-21-24-18-7-3-4-8-19(18)26(21)16-5-1-2-6-16/h3-4,7-12,16,20H,1-2,5-6,13-14H2,(H,25,27,28)
InChIKeyHFBNARMVGPKCOY-UHFFFAOYSA-N
XLogP4.62
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500421.52
LogP ≤ 54.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thioester', 'substructure': 'N/A'}

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Related Compounds

5-[[4-[(1-methyl-6-naphthalen-2-yloxybenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 150398739
5-[[4-[[4-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]phenyl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 22416575
5-[[4-[[1-methyl-6-(4-phenylphenoxy)benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrochloride
CID 86758444
5-[[4-[[1-methyl-6-(2-phenylphenoxy)benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 86758434
(5S)-5-[[4-[(4-oxo-3H-quinazolin-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 136811211
5-[[4-(cyclopentylmethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 12944221
5-[[4-[[6-[2-(4-aminophenyl)ethoxy]-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 86587775
5-[[4-(2-indazol-2-ylethoxy)phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 141191871
1-cyclohexyl-3-[4-[2-[[4-[(2,4-dioxo-1,3-thiazolidin-5-yl)methyl]phenoxy]methyl]-3-methylbenzimidazol-5-yl]oxyphenyl]thiourea
CID 10167909
5-[[4-[[1-methyl-6-[4-(propan-2-ylamino)phenoxy]benzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10186152
5-[[4-[[6-(4-hydroxy-2,3-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione
CID 10278808
5-[[4-[[6-(4-amino-3,5-dimethylphenoxy)-1-methylbenzimidazol-2-yl]methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione;hydrate;dihydrochloride
CID 25009213

Frequently Asked Questions

What is the IUPAC name of 5-[[4-[(1-cyclopentylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The IUPAC name of 5-[[4-[(1-cyclopentylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione (CID 127027660) is 5-[[4-[(1-cyclopentylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione.
What is the SMILES notation for 5-[[4-[(1-cyclopentylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The canonical SMILES for 5-[[4-[(1-cyclopentylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is O=C1NC(=O)C(Cc2ccc(OCc3nc4ccccc4n3C3CCCC3)cc2)S1.
What is the InChIKey of 5-[[4-[(1-cyclopentylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
The InChIKey is HFBNARMVGPKCOY-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H23N3O3S/c27-22-20(30-23(28)25-22)13-15-9-11-17(12-10-15)29-14-21-24-18-7-3-4-8-19(18)26(21)16-5-1-2-6-16/h3-4,7-12,16,20H,1-2,5-6,13-14H2,(H,25,27,28).
What are the key properties of 5-[[4-[(1-cyclopentylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione?
5-[[4-[(1-cyclopentylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione has a molecular weight of 421.52 g/mol, XLogP of 4.62, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-[(1-cyclopentylbenzimidazol-2-yl)methoxy]phenyl]methyl]-1,3-thiazolidine-2,4-dione is sourced from PubChem (CID 127027660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).