2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide

C23H29N3O3 — CID 16981324

IUPAC2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
SMILESCOCC(=O)NCCCc1nc2ccccc2n1CCCOc1ccccc1C
InChIInChI=1S/C23H29N3O3/c1-18-9-3-6-12-21(18)29-16-8-15-26-20-11-5-4-10-19(20)25-22(26)13-7-14-24-23(27)17-28-2/h3-6,9-12H,7-8,13-17H2,1-2H3,(H,24,27)
InChIKeyILURCFSQMUGNNZ-UHFFFAOYSA-N
MW395.50 g/mol
LogP3.51
Rot. Bonds11

About 2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide

2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide (PubChem CID 16981324) has the molecular formula C23H29N3O3 and a molecular weight of 395.50 g/mol. Its IUPAC name is 2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
PubChem CID16981324
Molecular FormulaC23H29N3O3
Molecular Weight395.50 g/mol
Exact Mass395.22
IUPAC Name2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
SMILESCOCC(=O)NCCCc1nc2ccccc2n1CCCOc1ccccc1C
InChIInChI=1S/C23H29N3O3/c1-18-9-3-6-12-21(18)29-16-8-15-26-20-11-5-4-10-19(20)25-22(26)13-7-14-24-23(27)17-28-2/h3-6,9-12H,7-8,13-17H2,1-2H3,(H,24,27)
InChIKeyILURCFSQMUGNNZ-UHFFFAOYSA-N
XLogP3.51
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds11
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500395.50
LogP ≤ 53.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980702
2-(4-methoxyphenyl)-N-[3-[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16985611
N-[5-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988210
2-methoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16981376
4-methyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984323
2-methoxy-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16981329
N-[3-[1-[4-(3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2-methoxyacetamide
CID 16981368
2-(4-methoxyphenyl)-N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
CID 16985556
N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide
CID 16981267
N-[3-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16980583
N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]furan-2-carboxamide
CID 4754686
2,4-dimethyl-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16982579

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide (CID 16981324) is 2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide is COCC(=O)NCCCc1nc2ccccc2n1CCCOc1ccccc1C.
What is the InChIKey of 2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?
The InChIKey is ILURCFSQMUGNNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O3/c1-18-9-3-6-12-21(18)29-16-8-15-26-20-11-5-4-10-19(20)25-22(26)13-7-14-24-23(27)17-28-2/h3-6,9-12H,7-8,13-17H2,1-2H3,(H,24,27).
What are the key properties of 2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?
2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide has a molecular weight of 395.50 g/mol, XLogP of 3.51, 11 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide is sourced from PubChem (CID 16981324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).