N-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide

C21H25N3O4 — CID 18121406

IUPACN-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide
SMILESCCn1c(=O)n(CC(=O)N(C)Cc2cccc(OC)c2OC)c2ccccc21
InChIInChI=1S/C21H25N3O4/c1-5-23-16-10-6-7-11-17(16)24(21(23)26)14-19(25)22(2)13-15-9-8-12-18(27-3)20(15)28-4/h6-12H,5,13-14H2,1-4H3
InChIKeyVVWOAWSMSHCKKK-UHFFFAOYSA-N
MW383.45 g/mol
LogP2.50
Rot. Bonds7

About N-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide

N-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide (PubChem CID 18121406) has the molecular formula C21H25N3O4 and a molecular weight of 383.45 g/mol. Its IUPAC name is N-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide.

Molecular Properties

Compound NameN-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide
PubChem CID18121406
Molecular FormulaC21H25N3O4
Molecular Weight383.45 g/mol
Exact Mass383.18
IUPAC NameN-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide
SMILESCCn1c(=O)n(CC(=O)N(C)Cc2cccc(OC)c2OC)c2ccccc21
InChIInChI=1S/C21H25N3O4/c1-5-23-16-10-6-7-11-17(16)24(21(23)26)14-19(25)22(2)13-15-9-8-12-18(27-3)20(15)28-4/h6-12H,5,13-14H2,1-4H3
InChIKeyVVWOAWSMSHCKKK-UHFFFAOYSA-N
XLogP2.50
TPSA65.70 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500383.45
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze N-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[2-[(2,3-dimethoxyphenyl)methyl]pyrazol-3-yl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)acetamide
CID 55461115
2-(4-aminopiperidin-1-yl)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 119907420
2-[(3aR,7aS)-1,3-dioxo-3a,4,7,7a-tetrahydroisoindol-2-yl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 27835771
2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methyl-N-[(5-methylfuran-2-yl)methyl]acetamide
CID 43035572
N-[(2-methoxyphenyl)methyl]-N-methylpropanamide
CID 60630949
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-(propylamino)acetamide
CID 60648390
2-[(4S)-4-cyclopropyl-4-methyl-2,5-dioxoimidazolidin-1-yl]-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 51857399
4-amino-N-[(2,3-dimethoxyphenyl)methyl]-N-methylbutanamide
CID 54868981
4-[[[2-(3-ethyl-2-oxobenzimidazol-1-yl)acetyl]-methylamino]methyl]-N-methylbenzamide
CID 38744872
2-(2-cyanophenoxy)-N-[(2,3-dimethoxyphenyl)methyl]-N-methylacetamide
CID 7718911
N-[(2,3-dimethoxyphenyl)methyl]-N-methyl-2-[4-(2-oxo-2-piperidin-1-ylethyl)piperazin-1-yl]acetamide
CID 24534606
5-chloro-N-[(2,3-dimethoxyphenyl)methyl]-N-methylpentanamide
CID 43470726

Frequently Asked Questions

What is the IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide?
The IUPAC name of N-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide (CID 18121406) is N-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide.
What is the SMILES notation for N-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide?
The canonical SMILES for N-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide is CCn1c(=O)n(CC(=O)N(C)Cc2cccc(OC)c2OC)c2ccccc21.
What is the InChIKey of N-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide?
The InChIKey is VVWOAWSMSHCKKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O4/c1-5-23-16-10-6-7-11-17(16)24(21(23)26)14-19(25)22(2)13-15-9-8-12-18(27-3)20(15)28-4/h6-12H,5,13-14H2,1-4H3.
What are the key properties of N-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide?
N-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide has a molecular weight of 383.45 g/mol, XLogP of 2.50, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,3-dimethoxyphenyl)methyl]-2-(3-ethyl-2-oxobenzimidazol-1-yl)-N-methylacetamide is sourced from PubChem (CID 18121406), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).