N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide

C22H26N4O3 — CID 55609703

IUPACN-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide
SMILESCCn1c(=O)n(CCC(=O)Nc2cccc(NC(=O)C(C)C)c2)c2ccccc21
InChIInChI=1S/C22H26N4O3/c1-4-25-18-10-5-6-11-19(18)26(22(25)29)13-12-20(27)23-16-8-7-9-17(14-16)24-21(28)15(2)3/h5-11,14-15H,4,12-13H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyIONLUZNUOHOPGS-UHFFFAOYSA-N
MW394.48 g/mol
LogP3.45
Rot. Bonds7

About N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide

N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide (PubChem CID 55609703) has the molecular formula C22H26N4O3 and a molecular weight of 394.48 g/mol. Its IUPAC name is N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide.

Molecular Properties

Compound NameN-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide
PubChem CID55609703
Molecular FormulaC22H26N4O3
Molecular Weight394.48 g/mol
Exact Mass394.20
IUPAC NameN-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide
SMILESCCn1c(=O)n(CCC(=O)Nc2cccc(NC(=O)C(C)C)c2)c2ccccc21
InChIInChI=1S/C22H26N4O3/c1-4-25-18-10-5-6-11-19(18)26(22(25)29)13-12-20(27)23-16-8-7-9-17(14-16)24-21(28)15(2)3/h5-11,14-15H,4,12-13H2,1-3H3,(H,23,27)(H,24,28)
InChIKeyIONLUZNUOHOPGS-UHFFFAOYSA-N
XLogP3.45
TPSA85.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500394.48
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-ethynylphenyl)propanamide
CID 30285225
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-nitrophenyl)propanamide
CID 25299229
3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]-N-propylbenzamide
CID 55705815
N-(4-butan-2-ylphenyl)-3-(3-ethyl-2-oxobenzimidazol-1-yl)propanamide
CID 16574720
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-(2-oxoimidazolidin-1-yl)phenyl]propanamide
CID 55719879
N-[3-(2-methylpropanoylamino)phenyl]butanamide
CID 17189167
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
CID 55732676
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55642616
N,N'-bis[3-(2-methylpropanoylamino)phenyl]decanediamide
CID 17189285
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[3-[(4-methoxyphenyl)sulfamoyl]phenyl]propanamide
CID 24559430
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-fluorophenyl)acetamide
CID 24564807
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(3-methylbutyl)propanamide
CID 16573526

Frequently Asked Questions

What is the IUPAC name of N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide?
The IUPAC name of N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide (CID 55609703) is N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide.
What is the SMILES notation for N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide?
The canonical SMILES for N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide is CCn1c(=O)n(CCC(=O)Nc2cccc(NC(=O)C(C)C)c2)c2ccccc21.
What is the InChIKey of N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide?
The InChIKey is IONLUZNUOHOPGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H26N4O3/c1-4-25-18-10-5-6-11-19(18)26(22(25)29)13-12-20(27)23-16-8-7-9-17(14-16)24-21(28)15(2)3/h5-11,14-15H,4,12-13H2,1-3H3,(H,23,27)(H,24,28).
What are the key properties of N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide?
N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide has a molecular weight of 394.48 g/mol, XLogP of 3.45, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[3-(3-ethyl-2-oxobenzimidazol-1-yl)propanoylamino]phenyl]-2-methylpropanamide is sourced from PubChem (CID 55609703), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).