3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]benzamide

C23H19FN4O3S — CID 52662842

IUPAC3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C23H19FN4O3S/c24-17-6-1-4-15(12-17)22-26-20-9-8-18(14-21(20)27-22)25-23(29)16-5-2-7-19(13-16)28-10-3-11-32(28,30)31/h1-2,4-9,12-14H,3,10-11H2,(H,25,29)(H,26,27)
InChIKeyVJVPVYMVXMFKQK-UHFFFAOYSA-N
MW450.50 g/mol
LogP4.16
Rot. Bonds4

About 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]benzamide

3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]benzamide (PubChem CID 52662842) has the molecular formula C23H19FN4O3S and a molecular weight of 450.50 g/mol. Its IUPAC name is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]benzamide.

Molecular Properties

Compound Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]benzamide
PubChem CID52662842
Molecular FormulaC23H19FN4O3S
Molecular Weight450.50 g/mol
Exact Mass450.12
IUPAC Name3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]benzamide
SMILESO=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)c1cccc(N2CCCS2(=O)=O)c1
InChIInChI=1S/C23H19FN4O3S/c24-17-6-1-4-15(12-17)22-26-20-9-8-18(14-21(20)27-22)25-23(29)16-5-2-7-19(13-16)28-10-3-11-32(28,30)31/h1-2,4-9,12-14H,3,10-11H2,(H,25,29)(H,26,27)
InChIKeyVJVPVYMVXMFKQK-UHFFFAOYSA-N
XLogP4.16
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.50
LogP ≤ 54.16
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-(1,1-dioxothiazinan-2-yl)-N-(4-fluorophenyl)benzamide
CID 7686047
N-[3-(1H-benzimidazol-2-yl)-4-chlorophenyl]-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 110162725
2-(difluoromethyl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3H-benzimidazole-5-carboxamide
CID 56561489
N-(3,4-difluorophenyl)-3-(1,1-dioxothiazinan-2-yl)benzamide
CID 7686052
N-(3,5-dichlorophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 24592557
3-(1,1-dioxothiazinan-2-yl)-N-phenylbenzamide
CID 7686078
N-(4-cyanophenyl)-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18289205
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-fluorophenyl)benzamide
CID 51309461
3-fluoro-N-(2-pyridin-2-yl-3H-benzimidazol-5-yl)benzamide
CID 56762590
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-2-methylbutanamide
CID 60534062
N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]-3-methyl-4-oxo-6,7-dihydro-5H-1-benzofuran-2-carboxamide
CID 55901898
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-(2-oxo-3,4-dihydro-1H-quinolin-6-yl)benzamide
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Frequently Asked Questions

What is the IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]benzamide?
The IUPAC name of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]benzamide (CID 52662842) is 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]benzamide.
What is the SMILES notation for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]benzamide?
The canonical SMILES for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]benzamide is O=C(Nc1ccc2nc(-c3cccc(F)c3)[nH]c2c1)c1cccc(N2CCCS2(=O)=O)c1.
What is the InChIKey of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]benzamide?
The InChIKey is VJVPVYMVXMFKQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H19FN4O3S/c24-17-6-1-4-15(12-17)22-26-20-9-8-18(14-21(20)27-22)25-23(29)16-5-2-7-19(13-16)28-10-3-11-32(28,30)31/h1-2,4-9,12-14H,3,10-11H2,(H,25,29)(H,26,27).
What are the key properties of 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]benzamide?
3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]benzamide has a molecular weight of 450.50 g/mol, XLogP of 4.16, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,1-dioxo-1,2-thiazolidin-2-yl)-N-[2-(3-fluorophenyl)-3H-benzimidazol-5-yl]benzamide is sourced from PubChem (CID 52662842), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).