N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide

C19H17N5O3S — CID 46970759

IUPACN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccn2)nc2ccccc21)NCCN1C(=O)CSC1=O
InChIInChI=1S/C19H17N5O3S/c25-16(21-9-10-23-17(26)12-28-19(23)27)11-24-15-7-2-1-5-13(15)22-18(24)14-6-3-4-8-20-14/h1-8H,9-12H2,(H,21,25)
InChIKeyGRBDFTKCCZVZHA-UHFFFAOYSA-N
MW395.44 g/mol
LogP1.91
Rot. Bonds6

About N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide

N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide (PubChem CID 46970759) has the molecular formula C19H17N5O3S and a molecular weight of 395.44 g/mol. Its IUPAC name is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide.

Molecular Properties

Compound NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
PubChem CID46970759
Molecular FormulaC19H17N5O3S
Molecular Weight395.44 g/mol
Exact Mass395.11
IUPAC NameN-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
SMILESO=C(Cn1c(-c2ccccn2)nc2ccccc21)NCCN1C(=O)CSC1=O
InChIInChI=1S/C19H17N5O3S/c25-16(21-9-10-23-17(26)12-28-19(23)27)11-24-15-7-2-1-5-13(15)22-18(24)14-6-3-4-8-20-14/h1-8H,9-12H2,(H,21,25)
InChIKeyGRBDFTKCCZVZHA-UHFFFAOYSA-N
XLogP1.91
TPSA97.19 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.44
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(1,3-benzothiazol-2-yl)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 30867708
N-(benzylideneamino)-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide
CID 3673852
[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 2-methylquinoline-4-carboxylate
CID 7648236
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-quinolin-2-ylsulfanylacetamide
CID 7754845
[2-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethylamino]-2-oxoethyl] 2-ethyl-4-methylquinoline-3-carboxylate
CID 8536445
N-(2-phenylethyl)-2-[2-(1,3-thiazol-4-yl)benzimidazol-1-yl]acetamide
CID 17408127
2-anilino-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 119726337
N-(pyridin-2-ylmethyl)-2-[2-(trifluoromethyl)benzimidazol-1-yl]acetamide
CID 40655464
2-(2-pyridin-2-ylbenzimidazol-1-yl)acetaldehyde
CID 89031622
2-(2,5-dioxopyrrolidin-1-yl)-N-[2-(4-methyl-5-oxo-3-pyridin-2-yl-1,2,4-triazol-1-yl)ethyl]acetamide
CID 121116075
3-chloro-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]propanamide
CID 43470811
2-bromo-N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]acetamide
CID 63679671

Frequently Asked Questions

What is the IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The IUPAC name of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide (CID 46970759) is N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide.
What is the SMILES notation for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The canonical SMILES for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide is O=C(Cn1c(-c2ccccn2)nc2ccccc21)NCCN1C(=O)CSC1=O.
What is the InChIKey of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
The InChIKey is GRBDFTKCCZVZHA-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N5O3S/c25-16(21-9-10-23-17(26)12-28-19(23)27)11-24-15-7-2-1-5-13(15)22-18(24)14-6-3-4-8-20-14/h1-8H,9-12H2,(H,21,25).
What are the key properties of N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide?
N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide has a molecular weight of 395.44 g/mol, XLogP of 1.91, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,4-dioxo-1,3-thiazolidin-3-yl)ethyl]-2-(2-pyridin-2-ylbenzimidazol-1-yl)acetamide is sourced from PubChem (CID 46970759), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).