[2-(3-acetylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate

C19H17N3O4 — CID 2395660

IUPAC[2-(3-acetylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)Cn2cnc3ccccc32)c1
InChIInChI=1S/C19H17N3O4/c1-13(23)14-5-4-6-15(9-14)21-18(24)11-26-19(25)10-22-12-20-16-7-2-3-8-17(16)22/h2-9,12H,10-11H2,1H3,(H,21,24)
InChIKeyFBGYBXJMBHBERZ-UHFFFAOYSA-N
MW351.36 g/mol
LogP2.42
Rot. Bonds6

About [2-(3-acetylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate

[2-(3-acetylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate (PubChem CID 2395660) has the molecular formula C19H17N3O4 and a molecular weight of 351.36 g/mol. Its IUPAC name is [2-(3-acetylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate.

Molecular Properties

Compound Name[2-(3-acetylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
PubChem CID2395660
Molecular FormulaC19H17N3O4
Molecular Weight351.36 g/mol
Exact Mass351.12
IUPAC Name[2-(3-acetylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate
SMILESCC(=O)c1cccc(NC(=O)COC(=O)Cn2cnc3ccccc32)c1
InChIInChI=1S/C19H17N3O4/c1-13(23)14-5-4-6-15(9-14)21-18(24)11-26-19(25)10-22-12-20-16-7-2-3-8-17(16)22/h2-9,12H,10-11H2,1H3,(H,21,24)
InChIKeyFBGYBXJMBHBERZ-UHFFFAOYSA-N
XLogP2.42
TPSA90.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.36
LogP ≤ 52.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze [2-(3-acetylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The IUPAC name of [2-(3-acetylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate (CID 2395660) is [2-(3-acetylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate.
What is the SMILES notation for [2-(3-acetylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The canonical SMILES for [2-(3-acetylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate is CC(=O)c1cccc(NC(=O)COC(=O)Cn2cnc3ccccc32)c1.
What is the InChIKey of [2-(3-acetylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
The InChIKey is FBGYBXJMBHBERZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17N3O4/c1-13(23)14-5-4-6-15(9-14)21-18(24)11-26-19(25)10-22-12-20-16-7-2-3-8-17(16)22/h2-9,12H,10-11H2,1H3,(H,21,24).
What are the key properties of [2-(3-acetylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate?
[2-(3-acetylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate has a molecular weight of 351.36 g/mol, XLogP of 2.42, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for [2-(3-acetylanilino)-2-oxoethyl] 2-(benzimidazol-1-yl)acetate is sourced from PubChem (CID 2395660), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).