3-(1H-benzimidazol-2-ylmethyl)-2-(5-bromothiophen-2-yl)-1,3-thiazolidin-4-one

C15H12BrN3OS2 — CID 3684441

IUPAC3-(1H-benzimidazol-2-ylmethyl)-2-(5-bromothiophen-2-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Br)s2)N1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C15H12BrN3OS2/c16-12-6-5-11(22-12)15-19(14(20)8-21-15)7-13-17-9-3-1-2-4-10(9)18-13/h1-6,15H,7-8H2,(H,17,18)
InChIKeyPDFCYOZEMXTZOZ-UHFFFAOYSA-N
MW394.32 g/mol
LogP4.16
Rot. Bonds3

About 3-(1H-benzimidazol-2-ylmethyl)-2-(5-bromothiophen-2-yl)-1,3-thiazolidin-4-one

3-(1H-benzimidazol-2-ylmethyl)-2-(5-bromothiophen-2-yl)-1,3-thiazolidin-4-one (PubChem CID 3684441) has the molecular formula C15H12BrN3OS2 and a molecular weight of 394.32 g/mol. Its IUPAC name is 3-(1H-benzimidazol-2-ylmethyl)-2-(5-bromothiophen-2-yl)-1,3-thiazolidin-4-one.

Molecular Properties

Compound Name3-(1H-benzimidazol-2-ylmethyl)-2-(5-bromothiophen-2-yl)-1,3-thiazolidin-4-one
PubChem CID3684441
Molecular FormulaC15H12BrN3OS2
Molecular Weight394.32 g/mol
Exact Mass392.96
IUPAC Name3-(1H-benzimidazol-2-ylmethyl)-2-(5-bromothiophen-2-yl)-1,3-thiazolidin-4-one
SMILESO=C1CSC(c2ccc(Br)s2)N1Cc1nc2ccccc2[nH]1
InChIInChI=1S/C15H12BrN3OS2/c16-12-6-5-11(22-12)15-19(14(20)8-21-15)7-13-17-9-3-1-2-4-10(9)18-13/h1-6,15H,7-8H2,(H,17,18)
InChIKeyPDFCYOZEMXTZOZ-UHFFFAOYSA-N
XLogP4.16
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.32
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1H-benzimidazol-2-ylmethyl)-2-(1H-indol-3-yl)-1,3-thiazolidin-4-one
CID 23733195
3-(1H-benzimidazol-2-ylmethyl)-2-(4-methylsulfanylphenyl)-1,3-thiazolidin-4-one
CID 23734588
2-[1-(benzenesulfonyl)pyrrol-2-yl]-3-(1H-benzimidazol-2-ylmethyl)-1,3-thiazolidin-4-one
CID 3864235
2-(5-bromothiophen-2-yl)-3-[(2,6-difluorophenyl)methyl]-1,3-thiazolidin-4-one
CID 74229535
3-(1H-benzimidazol-2-ylmethyl)-2-(3-ethoxy-4-methoxyphenyl)-1,3-thiazolidin-4-one
CID 23738121
2-(1H-benzimidazol-2-ylmethyl)-5-methyl-4,5,6,6a-tetrahydro-3aH-cyclopenta[c]pyrrole-1,3-dione
CID 114392748
5-[[4-(1H-benzimidazol-2-ylmethyl)piperazin-1-yl]methyl]-3-(5-bromothiophen-2-yl)-1,2,4-oxadiazole
CID 155968315
3-benzyl-2-(2-oxo-1H-quinolin-3-yl)-1,3-thiazolidin-4-one
CID 155811332
3-[(5-methylfuran-2-yl)methyl]-2-(5-methylthiophen-2-yl)-1,3-thiazolidin-4-one
CID 3350221
CID 58296357
CID 58296357
2-(5-methylthiophen-2-yl)-3-[(3,4,5-trimethoxyphenyl)methyl]-1,3-thiazolidin-4-one
CID 3836410
2-(piperidin-1-ylmethyl)-1H-benzimidazole;dihydrochloride
CID 3063303

Frequently Asked Questions

What is the IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)-2-(5-bromothiophen-2-yl)-1,3-thiazolidin-4-one?
The IUPAC name of 3-(1H-benzimidazol-2-ylmethyl)-2-(5-bromothiophen-2-yl)-1,3-thiazolidin-4-one (CID 3684441) is 3-(1H-benzimidazol-2-ylmethyl)-2-(5-bromothiophen-2-yl)-1,3-thiazolidin-4-one.
What is the SMILES notation for 3-(1H-benzimidazol-2-ylmethyl)-2-(5-bromothiophen-2-yl)-1,3-thiazolidin-4-one?
The canonical SMILES for 3-(1H-benzimidazol-2-ylmethyl)-2-(5-bromothiophen-2-yl)-1,3-thiazolidin-4-one is O=C1CSC(c2ccc(Br)s2)N1Cc1nc2ccccc2[nH]1.
What is the InChIKey of 3-(1H-benzimidazol-2-ylmethyl)-2-(5-bromothiophen-2-yl)-1,3-thiazolidin-4-one?
The InChIKey is PDFCYOZEMXTZOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12BrN3OS2/c16-12-6-5-11(22-12)15-19(14(20)8-21-15)7-13-17-9-3-1-2-4-10(9)18-13/h1-6,15H,7-8H2,(H,17,18).
What are the key properties of 3-(1H-benzimidazol-2-ylmethyl)-2-(5-bromothiophen-2-yl)-1,3-thiazolidin-4-one?
3-(1H-benzimidazol-2-ylmethyl)-2-(5-bromothiophen-2-yl)-1,3-thiazolidin-4-one has a molecular weight of 394.32 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1H-benzimidazol-2-ylmethyl)-2-(5-bromothiophen-2-yl)-1,3-thiazolidin-4-one is sourced from PubChem (CID 3684441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).