4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide

C19H20N4O3 — CID 24609226

IUPAC4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide
SMILESCCn1c(=O)n(CC(=O)Nc2ccc(C(=O)NC)cc2)c2ccccc21
InChIInChI=1S/C19H20N4O3/c1-3-22-15-6-4-5-7-16(15)23(19(22)26)12-17(24)21-14-10-8-13(9-11-14)18(25)20-2/h4-11H,3,12H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyNFHJCBLDXRFJEY-UHFFFAOYSA-N
MW352.39 g/mol
LogP1.82
Rot. Bonds5

About 4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide

4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide (PubChem CID 24609226) has the molecular formula C19H20N4O3 and a molecular weight of 352.39 g/mol. Its IUPAC name is 4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide.

Molecular Properties

Compound Name4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide
PubChem CID24609226
Molecular FormulaC19H20N4O3
Molecular Weight352.39 g/mol
Exact Mass352.15
IUPAC Name4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide
SMILESCCn1c(=O)n(CC(=O)Nc2ccc(C(=O)NC)cc2)c2ccccc21
InChIInChI=1S/C19H20N4O3/c1-3-22-15-6-4-5-7-16(15)23(19(22)26)12-17(24)21-14-10-8-13(9-11-14)18(25)20-2/h4-11H,3,12H2,1-2H3,(H,20,25)(H,21,24)
InChIKeyNFHJCBLDXRFJEY-UHFFFAOYSA-N
XLogP1.82
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.39
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-chloro-5-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide
CID 55836005
4-[[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
CID 38744872
N-[4-(dimethylsulfamoyl)phenyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 24555151
methyl 2-[[4-[[2-(3-ethyl-2,4-dioxoquinazolin-1-yl)acetyl]amino]benzoyl]amino]acetate
CID 46584638
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 24564807
2-(3-methyl-2-oxobenzimidazol-1-yl)-N-(4-phenylphenyl)acetamide
CID 24609349
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(hydroxymethyl)phenyl]acetamide
CID 110882347
4-[[2-[2-(2-hydroxyethylamino)benzimidazol-1-yl]acetyl]amino]-N-methylbenzamide
CID 55503123
2-(3-ethyl-2,4-dioxoquinazolin-1-yl)-N-[4-(1-phenylethylamino)phenyl]acetamide
CID 55987560
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(4-methyl-3-nitrophenyl)acetamide
CID 25299288
N-cyclopropyl-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 17445359
N-[4-(4-ethylpiperazin-1-yl)phenyl]-2-(2-oxo-3-propylbenzimidazol-1-yl)acetamide
CID 27286571

Frequently Asked Questions

What is the IUPAC name of 4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide?
The IUPAC name of 4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide (CID 24609226) is 4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide.
What is the SMILES notation for 4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide?
The canonical SMILES for 4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide is CCn1c(=O)n(CC(=O)Nc2ccc(C(=O)NC)cc2)c2ccccc21.
What is the InChIKey of 4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide?
The InChIKey is NFHJCBLDXRFJEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O3/c1-3-22-15-6-4-5-7-16(15)23(19(22)26)12-17(24)21-14-10-8-13(9-11-14)18(25)20-2/h4-11H,3,12H2,1-2H3,(H,20,25)(H,21,24).
What are the key properties of 4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide?
4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide has a molecular weight of 352.39 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]amino]-N-methylbenzamide is sourced from PubChem (CID 24609226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).