3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide

C21H23N5O3 — CID 55719879

IUPAC3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
SMILESCCn1c(=O)n(CCC(=O)Nc2cccc(N3CCNC3=O)c2)c2ccccc21
InChIInChI=1S/C21H23N5O3/c1-2-24-17-8-3-4-9-18(17)26(21(24)29)12-10-19(27)23-15-6-5-7-16(14-15)25-13-11-22-20(25)28/h3-9,14H,2,10-13H2,1H3,(H,22,28)(H,23,27)
InChIKeyYLLHQJYKNOLDJD-UHFFFAOYSA-N
MW393.45 g/mol
LogP2.38
Rot. Bonds6

About 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide (PubChem CID 55719879) has the molecular formula C21H23N5O3 and a molecular weight of 393.45 g/mol. Its IUPAC name is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide.

Molecular Properties

Compound Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
PubChem CID55719879
Molecular FormulaC21H23N5O3
Molecular Weight393.45 g/mol
Exact Mass393.18
IUPAC Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
SMILESCCn1c(=O)n(CCC(=O)Nc2cccc(N3CCNC3=O)c2)c2ccccc21
InChIInChI=1S/C21H23N5O3/c1-2-24-17-8-3-4-9-18(17)26(21(24)29)12-10-19(27)23-15-6-5-7-16(14-15)25-13-11-22-20(25)28/h3-9,14H,2,10-13H2,1H3,(H,22,28)(H,23,27)
InChIKeyYLLHQJYKNOLDJD-UHFFFAOYSA-N
XLogP2.38
TPSA88.37 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.45
LogP ≤ 52.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide
CID 55609703
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-ethynylphenyl)propanamide
CID 30285225
N-[3-(2-oxoimidazolidin-1-yl)phenyl]acetamide
CID 47210940
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-nitrophenyl)propanamide
CID 25299229
2,2-dimethyl-N-[4-oxo-4-[3-(2-oxoimidazolidin-1-yl)anilino]butyl]propanamide
CID 55717079
3-(2-methyl-3-oxo-1,4-benzoxazin-4-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 55720079
3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide
CID 55705815
4-benzamido-N-[3-(2-oxoimidazolidin-1-yl)phenyl]benzamide
CID 55726264
4-(3,4-dimethylphenyl)-4-oxo-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 55716802
4-(4-chlorophenyl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 55779261
4-(5-methylthiophen-2-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 71861057
(3R)-4,4,4-trifluoro-3-hydroxy-3-methyl-N-[3-(2-oxoimidazolidin-1-yl)phenyl]butanamide
CID 94799953

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
The IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide (CID 55719879) is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide.
What is the SMILES notation for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
The canonical SMILES for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide is CCn1c(=O)n(CCC(=O)Nc2cccc(N3CCNC3=O)c2)c2ccccc21.
What is the InChIKey of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
The InChIKey is YLLHQJYKNOLDJD-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O3/c1-2-24-17-8-3-4-9-18(17)26(21(24)29)12-10-19(27)23-15-6-5-7-16(14-15)25-13-11-22-20(25)28/h3-9,14H,2,10-13H2,1H3,(H,22,28)(H,23,27).
What are the key properties of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide?
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide has a molecular weight of 393.45 g/mol, XLogP of 2.38, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide is sourced from PubChem (CID 55719879), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).