2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide

C21H25N3O2 — CID 16969198

IUPAC2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide
SMILESCOCC(=O)NC(C)c1nc2ccccc2n1CCCc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-16(22-20(25)15-26-2)21-23-18-12-6-7-13-19(18)24(21)14-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-13,16H,8,11,14-15H2,1-2H3,(H,22,25)
InChIKeyRKJVVIKXLZRBPZ-UHFFFAOYSA-N
MW351.45 g/mol
LogP3.49
Rot. Bonds8

About 2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide

2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16969198) has the molecular formula C21H25N3O2 and a molecular weight of 351.45 g/mol. Its IUPAC name is 2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide
PubChem CID16969198
Molecular FormulaC21H25N3O2
Molecular Weight351.45 g/mol
Exact Mass351.19
IUPAC Name2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide
SMILESCOCC(=O)NC(C)c1nc2ccccc2n1CCCc1ccccc1
InChIInChI=1S/C21H25N3O2/c1-16(22-20(25)15-26-2)21-23-18-12-6-7-13-19(18)24(21)14-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-13,16H,8,11,14-15H2,1-2H3,(H,22,25)
InChIKeyRKJVVIKXLZRBPZ-UHFFFAOYSA-N
XLogP3.49
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500351.45
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methoxy-N-[1-(1-propylbenzimidazol-2-yl)ethyl]acetamide
CID 5013260
N-[1-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969251
3-phenyl-N-[1-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]propanamide
CID 16970469
2-methoxy-N-[1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16969160
2-ethyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]butanamide
CID 16969046
N-[1-(1-hexylbenzimidazol-2-yl)ethyl]-3-phenylpropanamide
CID 16970435
2-methoxy-N-[(1R)-1-(1-methylbenzimidazol-2-yl)ethyl]acetamide
CID 751110
2-methoxy-N-[1-[1-[(3-methylphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
CID 16969176
4-methyl-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16967208
N-[1-[1-[4-(2,3-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969257
N-[1-[1-(2-methoxyethyl)benzimidazol-2-yl]ethyl]-2-phenoxyacetamide
CID 16971833
N-[1-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-2-methoxyacetamide
CID 16969258

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide (CID 16969198) is 2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide is COCC(=O)NC(C)c1nc2ccccc2n1CCCc1ccccc1.
What is the InChIKey of 2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is RKJVVIKXLZRBPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H25N3O2/c1-16(22-20(25)15-26-2)21-23-18-12-6-7-13-19(18)24(21)14-8-11-17-9-4-3-5-10-17/h3-7,9-10,12-13,16H,8,11,14-15H2,1-2H3,(H,22,25).
What are the key properties of 2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide?
2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 351.45 g/mol, XLogP of 3.49, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[1-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16969198), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).