2-methoxy-N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide

C26H33N3O4 — CID 16981333

IUPAC2-methoxy-N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
SMILESC=CCc1ccc(OCCCn2c(CCCNC(=O)COC)nc3ccccc32)c(OC)c1
InChIInChI=1S/C26H33N3O4/c1-4-9-20-13-14-23(24(18-20)32-3)33-17-8-16-29-22-11-6-5-10-21(22)28-25(29)12-7-15-27-26(30)19-31-2/h4-6,10-11,13-14,18H,1,7-9,12,15-17,19H2,2-3H3,(H,27,30)
InChIKeyUVTCRFNDQITCBH-UHFFFAOYSA-N
MW451.57 g/mol
LogP3.94
Rot. Bonds14

About 2-methoxy-N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide

2-methoxy-N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide (PubChem CID 16981333) has the molecular formula C26H33N3O4 and a molecular weight of 451.57 g/mol. Its IUPAC name is 2-methoxy-N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
PubChem CID16981333
Molecular FormulaC26H33N3O4
Molecular Weight451.57 g/mol
Exact Mass451.25
IUPAC Name2-methoxy-N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
SMILESC=CCc1ccc(OCCCn2c(CCCNC(=O)COC)nc3ccccc32)c(OC)c1
InChIInChI=1S/C26H33N3O4/c1-4-9-20-13-14-23(24(18-20)32-3)33-17-8-16-29-22-11-6-5-10-21(22)28-25(29)12-7-15-27-26(30)19-31-2/h4-6,10-11,13-14,18H,1,7-9,12,15-17,19H2,2-3H3,(H,27,30)
InChIKeyUVTCRFNDQITCBH-UHFFFAOYSA-N
XLogP3.94
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds14
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500451.57
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-methoxy-N-[2-[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974644
N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986077
N-[3-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986052
2-ethyl-N-[3-[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide
CID 16981062
N-[5-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988032
2-(4-chlorophenoxy)-N-[3-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
CID 16986433
N-[3-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
CID 16985080
4-fluoro-N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]benzamide
CID 16984484
N-[5-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992892
N-[5-[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(4-phenylphenyl)acetamide
CID 16994404
N-[5-[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992298
N-[3-[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966287

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?
The IUPAC name of 2-methoxy-N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide (CID 16981333) is 2-methoxy-N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?
The canonical SMILES for 2-methoxy-N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide is C=CCc1ccc(OCCCn2c(CCCNC(=O)COC)nc3ccccc32)c(OC)c1.
What is the InChIKey of 2-methoxy-N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?
The InChIKey is UVTCRFNDQITCBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H33N3O4/c1-4-9-20-13-14-23(24(18-20)32-3)33-17-8-16-29-22-11-6-5-10-21(22)28-25(29)12-7-15-27-26(30)19-31-2/h4-6,10-11,13-14,18H,1,7-9,12,15-17,19H2,2-3H3,(H,27,30).
What are the key properties of 2-methoxy-N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide?
2-methoxy-N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide has a molecular weight of 451.57 g/mol, XLogP of 3.94, 14 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide is sourced from PubChem (CID 16981333), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).