N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide

C20H23N3O3 — CID 30358126

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCCc2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C20H23N3O3/c1-25-17-10-9-14(12-18(17)26-2)13-20(24)21-11-5-8-19-22-15-6-3-4-7-16(15)23-19/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyGLJCEKOFZYVOLU-UHFFFAOYSA-N
MW353.42 g/mol
LogP2.87
Rot. Bonds8

About N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide

N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide (PubChem CID 30358126) has the molecular formula C20H23N3O3 and a molecular weight of 353.42 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide
PubChem CID30358126
Molecular FormulaC20H23N3O3
Molecular Weight353.42 g/mol
Exact Mass353.17
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide
SMILESCOc1ccc(CC(=O)NCCCc2nc3ccccc3[nH]2)cc1OC
InChIInChI=1S/C20H23N3O3/c1-25-17-10-9-14(12-18(17)26-2)13-20(24)21-11-5-8-19-22-15-6-3-4-7-16(15)23-19/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3,(H,21,24)(H,22,23)
InChIKeyGLJCEKOFZYVOLU-UHFFFAOYSA-N
XLogP2.87
TPSA76.24 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.42
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4,5-trimethoxyphenyl)propanamide
CID 30358132
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(3,4-dimethoxyphenyl)-1H-pyrazole-5-carboxamide
CID 71827980
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(4-ethoxy-3-methoxyphenyl)propanamide
CID 21008938
3-[3-(1H-benzimidazol-2-yl)propyl]-1-[2-(3,4-dimethoxyphenyl)ethyl]-1,2-dimethylguanidine;hydroiodide
CID 111241486
2-(1H-benzimidazol-2-yl)-N-[(3,4-dimethoxyphenyl)methyl]ethanamine
CID 66526954
1-[3-(1H-benzimidazol-2-yl)propyl]-3-[(2-methoxyphenyl)methyl]urea
CID 24612830
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
N-[2-(1H-benzimidazol-2-yl)ethyl]-3-(3,4-dimethoxyphenyl)prop-2-enamide
CID 1083517
2-(2-ethyl-3H-benzimidazol-5-yl)-N-[2-(2-methoxyphenyl)ethyl]acetamide
CID 110772738
N-[2-(1H-benzimidazol-2-yl)ethyl]-3,5-dimethoxy-4-methylbenzamide
CID 30209564
2-(1H-benzimidazol-2-yl)-N-butylacetamide
CID 3852846
2-(3,4-dimethoxyphenyl)-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 16985669

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide (CID 30358126) is N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide is COc1ccc(CC(=O)NCCCc2nc3ccccc3[nH]2)cc1OC.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide?
The InChIKey is GLJCEKOFZYVOLU-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O3/c1-25-17-10-9-14(12-18(17)26-2)13-20(24)21-11-5-8-19-22-15-6-3-4-7-16(15)23-19/h3-4,6-7,9-10,12H,5,8,11,13H2,1-2H3,(H,21,24)(H,22,23).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide has a molecular weight of 353.42 g/mol, XLogP of 2.87, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-2-(3,4-dimethoxyphenyl)acetamide is sourced from PubChem (CID 30358126), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).