N-(3,4-dimethoxyphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide

C19H21N3O3 — CID 110772778

IUPACN-(3,4-dimethoxyphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide
SMILESCCc1nc2ccc(CC(=O)Nc3ccc(OC)c(OC)c3)cc2[nH]1
InChIInChI=1S/C19H21N3O3/c1-4-18-21-14-7-5-12(9-15(14)22-18)10-19(23)20-13-6-8-16(24-2)17(11-13)25-3/h5-9,11H,4,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyMWLFWBJZVQLOCT-UHFFFAOYSA-N
MW339.40 g/mol
LogP3.32
Rot. Bonds6

About N-(3,4-dimethoxyphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide

N-(3,4-dimethoxyphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide (PubChem CID 110772778) has the molecular formula C19H21N3O3 and a molecular weight of 339.40 g/mol. Its IUPAC name is N-(3,4-dimethoxyphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide.

Molecular Properties

Compound NameN-(3,4-dimethoxyphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide
PubChem CID110772778
Molecular FormulaC19H21N3O3
Molecular Weight339.40 g/mol
Exact Mass339.16
IUPAC NameN-(3,4-dimethoxyphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide
SMILESCCc1nc2ccc(CC(=O)Nc3ccc(OC)c(OC)c3)cc2[nH]1
InChIInChI=1S/C19H21N3O3/c1-4-18-21-14-7-5-12(9-15(14)22-18)10-19(23)20-13-6-8-16(24-2)17(11-13)25-3/h5-9,11H,4,10H2,1-3H3,(H,20,23)(H,21,22)
InChIKeyMWLFWBJZVQLOCT-UHFFFAOYSA-N
XLogP3.32
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500339.40
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3,4-dimethoxyphenyl)-3-(2-propyl-3H-benzimidazol-5-yl)propanamide
CID 53131237
4-[[2-(2-ethyl-3H-benzimidazol-5-yl)acetyl]amino]benzamide
CID 110772780
2-(2-ethyl-3H-benzimidazol-5-yl)-N-phenylacetamide
CID 110772765
N-(3-acetylphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide
CID 110772781
2-(2-ethyl-3H-benzimidazol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110772738
2-(3,4-dimethoxyphenyl)-N-(2-ethyl-1,3-benzothiazol-6-yl)acetamide
CID 30152451
N-(3,4-dimethoxyphenyl)-2-[2-[4-(2-methylpropanoylamino)phenyl]ethyl]-3H-benzimidazole-5-carboxamide
CID 50789464
N-(2-ethyl-3H-benzimidazol-5-yl)-3-(methylamino)propanamide
CID 96675307
N-[2-(methoxymethyl)-3H-benzimidazol-5-yl]-2-phenylacetamide
CID 51044165
N-(2-ethyl-3H-benzimidazol-5-yl)-2-(1H-indol-3-yl)acetamide
CID 110793188
2-(4-bromophenyl)-N-(3,4-dimethoxyphenyl)acetamide
CID 2682877
N-(2-methoxy-5-methylphenyl)-2-(2-methyl-3H-benzimidazol-5-yl)acetamide
CID 110772643

Frequently Asked Questions

What is the IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide?
The IUPAC name of N-(3,4-dimethoxyphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide (CID 110772778) is N-(3,4-dimethoxyphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide.
What is the SMILES notation for N-(3,4-dimethoxyphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide?
The canonical SMILES for N-(3,4-dimethoxyphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide is CCc1nc2ccc(CC(=O)Nc3ccc(OC)c(OC)c3)cc2[nH]1.
What is the InChIKey of N-(3,4-dimethoxyphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide?
The InChIKey is MWLFWBJZVQLOCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21N3O3/c1-4-18-21-14-7-5-12(9-15(14)22-18)10-19(23)20-13-6-8-16(24-2)17(11-13)25-3/h5-9,11H,4,10H2,1-3H3,(H,20,23)(H,21,22).
What are the key properties of N-(3,4-dimethoxyphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide?
N-(3,4-dimethoxyphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide has a molecular weight of 339.40 g/mol, XLogP of 3.32, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethoxyphenyl)-2-(2-ethyl-3H-benzimidazol-5-yl)acetamide is sourced from PubChem (CID 110772778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).