2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide

C19H16N4O3 — CID 110778994

IUPAC2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide
SMILESCCc1nc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2[nH]1
InChIInChI=1S/C19H16N4O3/c1-2-16-21-14-8-7-11(9-15(14)22-16)20-17(24)10-23-18(25)12-5-3-4-6-13(12)19(23)26/h3-9H,2,10H2,1H3,(H,20,24)(H,21,22)
InChIKeyQUODMAGMPUPHQZ-UHFFFAOYSA-N
MW348.36 g/mol
LogP2.36
Rot. Bonds4

About 2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide

2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide (PubChem CID 110778994) has the molecular formula C19H16N4O3 and a molecular weight of 348.36 g/mol. Its IUPAC name is 2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound Name2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide
PubChem CID110778994
Molecular FormulaC19H16N4O3
Molecular Weight348.36 g/mol
Exact Mass348.12
IUPAC Name2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide
SMILESCCc1nc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2[nH]1
InChIInChI=1S/C19H16N4O3/c1-2-16-21-14-8-7-11(9-15(14)22-16)20-17(24)10-23-18(25)12-5-3-4-6-13(12)19(23)26/h3-9H,2,10H2,1H3,(H,20,24)(H,21,22)
InChIKeyQUODMAGMPUPHQZ-UHFFFAOYSA-N
XLogP2.36
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.36
LogP ≤ 52.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-(1,3-dioxoisoindol-2-yl)-N-(3-methyl-2-oxo-1H-quinolin-7-yl)acetamide
CID 110427972
N-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide
CID 96675307
3-(1,3-dioxoisoindol-2-yl)-N-(2-propan-2-yl-3H-benzimidazol-5-yl)propanamide
CID 110204352
N-(2-ethyl-3H-benzimidazol-5-yl)-2-(1H-indol-3-yl)acetamide
CID 110793188
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1-methylidene-3-oxoisoindol-2-yl)acetamide
CID 55933918
2-(2-ethyl-3H-benzimidazol-5-yl)-N-phenylacetamide
CID 110772765
2-(1,3-dioxoisoindol-2-yl)-N-[4-(ethylamino)phenyl]acetamide
CID 23824241
N-(2-butyl-3H-benzimidazol-5-yl)-2-(4-oxoquinazolin-3-yl)acetamide
CID 47775569
2-(1,3-dioxoisoindol-2-yl)-N-(1-methylbenzimidazol-5-yl)acetamide
CID 110728536
2-(1,3-dioxoisoindol-2-yl)-N-(3-methylsulfanylphenyl)acetamide
CID 2640778
N-(3-acetylphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 110772781
N-(4-tert-butylphenyl)-2-(1,3-dioxoisoindol-2-yl)acetamide
CID 7658806

Frequently Asked Questions

What is the IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of 2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide (CID 110778994) is 2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for 2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for 2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide is CCc1nc2ccc(NC(=O)CN3C(=O)c4ccccc4C3=O)cc2[nH]1.
What is the InChIKey of 2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is QUODMAGMPUPHQZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O3/c1-2-16-21-14-8-7-11(9-15(14)22-16)20-17(24)10-23-18(25)12-5-3-4-6-13(12)19(23)26/h3-9H,2,10H2,1H3,(H,20,24)(H,21,22).
What are the key properties of 2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide?
2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 348.36 g/mol, XLogP of 2.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1,3-dioxoisoindol-2-yl)-N-(2-ethyl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 110778994), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).