3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide

C19H21N3O3 — CID 24554769

IUPAC3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide
SMILESCCn1c(=O)n(CCC(=O)Nc2ccccc2OC)c2ccccc21
InChIInChI=1S/C19H21N3O3/c1-3-21-15-9-5-6-10-16(15)22(19(21)24)13-12-18(23)20-14-8-4-7-11-17(14)25-2/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyDFASILHDNWLJHE-UHFFFAOYSA-N
MW339.40 g/mol
LogP2.86
Rot. Bonds6

About 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide

3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide (PubChem CID 24554769) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide.

Molecular Properties

Compound Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide
PubChem CID24554769
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC Name3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide
SMILESCCn1c(=O)n(CCC(=O)Nc2ccccc2OC)c2ccccc21
InChIInChI=1S/C19H21N3O3/c1-3-21-15-9-5-6-10-16(15)22(19(21)24)13-12-18(23)20-14-8-4-7-11-17(14)25-2/h4-11H,3,12-13H2,1-2H3,(H,20,23)
InChIKeyDFASILHDNWLJHE-UHFFFAOYSA-N
XLogP2.86
TPSA65.26 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 52.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-(1-ethyl-2,4-dioxoquinazolin-3-yl)-N-(2-methoxyphenyl)acetamide
CID 3432119
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-(propan-2-ylcarbamoylamino)phenyl]propanamide
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3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-[2-[2-(methylamino)-2-oxoethyl]phenyl]propanamide
CID 55642616
3-(3-methyl-2-oxobenzimidazol-1-yl)-N-(2-propoxyphenyl)propanamide
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3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-pyridin-2-ylpropanamide
CID 18107170
3-(2,5-dioxopyrrolidin-1-yl)-N-(2-methoxyphenyl)propanamide
CID 17034881
2-[3-(2-hydroxyethyl)-2,4-dioxoquinazolin-1-yl]-N-(2-methoxyphenyl)acetamide
CID 53371249
N-(2,5-dimethoxyphenyl)-2-(1-ethyl-2,4-dioxoquinazolin-3-yl)acetamide
CID 3236363
N-(3-amino-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 119419381
N-(3-chloro-4-methoxyphenyl)-3-(2-oxo-3-propylbenzimidazol-1-yl)propanamide
CID 18292823
N-(2-methoxyphenyl)-3-(2-oxo-1,3-thiazolidin-3-yl)propanamide
CID 18093399
3-(2,4-dioxo-1,3-thiazolidin-3-yl)-N-(2-methoxyphenyl)propanamide
CID 4728896

Frequently Asked Questions

What is the IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide?
The IUPAC name of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide (CID 24554769) is 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide.
What is the SMILES notation for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide?
The canonical SMILES for 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide is CCn1c(=O)n(CCC(=O)Nc2ccccc2OC)c2ccccc21.
What is the InChIKey of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide?
The InChIKey is DFASILHDNWLJHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-3-21-15-9-5-6-10-16(15)22(19(21)24)13-12-18(23)20-14-8-4-7-11-17(14)25-2/h4-11H,3,12-13H2,1-2H3,(H,20,23).
What are the key properties of 3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide?
3-(3-ethyl-2-oxobenzimidazol-1-yl)-N-(2-methoxyphenyl)propanamide has a molecular weight of 339.40 g/mol, XLogP of 2.86, 6 rotatable bonds, 1 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-(2-methoxyphenyl)propanamide is sourced from PubChem (CID 24554769), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).