N-[[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide

C28H29N3O4 — CID 16970965

IUPACN-[[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide
SMILESC=CCc1ccc(OCCn2c(CNC(=O)COc3ccccc3)nc3ccccc32)c(OC)c1
InChIInChI=1S/C28H29N3O4/c1-3-9-21-14-15-25(26(18-21)33-2)34-17-16-31-24-13-8-7-12-23(24)30-27(31)19-29-28(32)20-35-22-10-5-4-6-11-22/h3-8,10-15,18H,1,9,16-17,19-20H2,2H3,(H,29,32)
InChIKeyWQYGTYHAIKNKIK-UHFFFAOYSA-N
MW471.56 g/mol
LogP4.55
Rot. Bonds12

About N-[[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide

N-[[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide (PubChem CID 16970965) has the molecular formula C28H29N3O4 and a molecular weight of 471.56 g/mol. Its IUPAC name is N-[[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide
PubChem CID16970965
Molecular FormulaC28H29N3O4
Molecular Weight471.56 g/mol
Exact Mass471.22
IUPAC NameN-[[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide
SMILESC=CCc1ccc(OCCn2c(CNC(=O)COc3ccccc3)nc3ccccc32)c(OC)c1
InChIInChI=1S/C28H29N3O4/c1-3-9-21-14-15-25(26(18-21)33-2)34-17-16-31-24-13-8-7-12-23(24)30-27(31)19-29-28(32)20-35-22-10-5-4-6-11-22/h3-8,10-15,18H,1,9,16-17,19-20H2,2H3,(H,29,32)
InChIKeyWQYGTYHAIKNKIK-UHFFFAOYSA-N
XLogP4.55
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds12
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500471.56
LogP ≤ 54.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

N-[5-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992892
2-(4-chlorophenoxy)-N-[3-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]acetamide
CID 16986433
N-[[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide
CID 17005961
N-[[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006832
N-[2-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974167
4-bromo-N-[[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17009199
N-[3-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986052
3,4,5-trimethoxy-N-[2-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977029
2-(4-chlorophenoxy)-N-[5-[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993270
2-methoxy-N-[[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007678
2-methoxy-N-[2-[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974644
(Z)-N-[[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-phenylprop-2-enamide
CID 16970833

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide?
The IUPAC name of N-[[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide (CID 16970965) is N-[[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide is C=CCc1ccc(OCCn2c(CNC(=O)COc3ccccc3)nc3ccccc32)c(OC)c1.
What is the InChIKey of N-[[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide?
The InChIKey is WQYGTYHAIKNKIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H29N3O4/c1-3-9-21-14-15-25(26(18-21)33-2)34-17-16-31-24-13-8-7-12-23(24)30-27(31)19-29-28(32)20-35-22-10-5-4-6-11-22/h3-8,10-15,18H,1,9,16-17,19-20H2,2H3,(H,29,32).
What are the key properties of N-[[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide?
N-[[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide has a molecular weight of 471.56 g/mol, XLogP of 4.55, 12 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide is sourced from PubChem (CID 16970965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).