3-(1H-benzimidazol-2-yl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one

C19H13N3O3S — CID 132548795

IUPAC3-(1H-benzimidazol-2-yl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2coc3ccccc3c2=O)N1c1nc2ccccc2[nH]1
InChIInChI=1S/C19H13N3O3S/c23-16-10-26-18(12-9-25-15-8-4-1-5-11(15)17(12)24)22(16)19-20-13-6-2-3-7-14(13)21-19/h1-9,18H,10H2,(H,20,21)
InChIKeyZNFDAZZODWQGKC-UHFFFAOYSA-N
MW363.40 g/mol
LogP3.45
Rot. Bonds2

About 3-(1H-benzimidazol-2-yl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one

3-(1H-benzimidazol-2-yl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one (PubChem CID 132548795) has the molecular formula C19H13N3O3S and a molecular weight of 363.40 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-yl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-yl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one
PubChem CID132548795
Molecular FormulaC19H13N3O3S
Molecular Weight363.40 g/mol
Exact Mass363.07
IUPAC Name3-(1H-benzimidazol-2-yl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2coc3ccccc3c2=O)N1c1nc2ccccc2[nH]1
InChIInChI=1S/C19H13N3O3S/c23-16-10-26-18(12-9-25-15-8-4-1-5-11(15)17(12)24)22(16)19-20-13-6-2-3-7-14(13)21-19/h1-9,18H,10H2,(H,20,21)
InChIKeyZNFDAZZODWQGKC-UHFFFAOYSA-N
XLogP3.45
TPSA79.20 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.40
LogP ≤ 53.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-chloro-4-methoxyphenyl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one
CID 6616073
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3-[2-(1H-benzimidazol-2-yl)phenyl]-2-(4-nitrophenyl)-1,3-thiazolidin-4-one
CID 53473740
3-[2-acetyl-5-(naphthalene-1-carbonyl)-3,4-dihydropyrazol-4-yl]chromen-4-one
CID 11015098
3-[2-(1H-benzimidazol-2-yl)phenyl]-2-(3-nitrophenyl)-1,3-thiazolidin-4-one
CID 53473739
3-(1H-benzimidazol-2-ylmethyl)-2-(5-bromothiophen-2-yl)-1,3-thiazolidin-4-one
CID 3684441
3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
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7-(1H-benzimidazol-2-yl)-3,4,6,6a-tetrahydro-[1,2,3,5]dithiadiazocino[3,4-a]benzimidazol-5-one
CID 118571096
2-(3,4-dichlorophenyl)-3-(2-phenyl-1H-indol-3-yl)-1,3-thiazolidin-4-one
CID 10003292
3-(3-phenyl-2-bicyclo[2.2.1]hept-5-enyl)chromen-4-one
CID 164686100
3-[6-(4-methylpiperazin-1-yl)-1H-benzimidazol-2-yl]chromen-4-one
CID 59784658

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-yl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(1H-benzimidazol-2-yl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one (CID 132548795) is 3-(1H-benzimidazol-2-yl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-yl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(1H-benzimidazol-2-yl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one is O=C1CSC(c2coc3ccccc3c2=O)N1c1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-yl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one?
The InChIKey is ZNFDAZZODWQGKC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H13N3O3S/c23-16-10-26-18(12-9-25-15-8-4-1-5-11(15)17(12)24)22(16)19-20-13-6-2-3-7-14(13)21-19/h1-9,18H,10H2,(H,20,21).
What are the key properties of 3-(1H-benzimidazol-2-yl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one?
3-(1H-benzimidazol-2-yl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one has a molecular weight of 363.40 g/mol, XLogP of 3.45, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-yl)-2-(4-oxochromen-3-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 132548795), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).