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

C23H27N3O3 — CID 16974167

IUPACN-[2-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
SMILESC=CCc1ccc(OCCn2c(CCNC(C)=O)nc3ccccc32)c(OC)c1
InChIInChI=1S/C23H27N3O3/c1-4-7-18-10-11-21(22(16-18)28-3)29-15-14-26-20-9-6-5-8-19(20)25-23(26)12-13-24-17(2)27/h4-6,8-11,16H,1,7,12-15H2,2-3H3,(H,24,27)
InChIKeyCRTUDVRNGBQLLH-UHFFFAOYSA-N
MW393.49 g/mol
LogP3.53
Rot. Bonds10

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

N-[2-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16974167) has the molecular formula C23H27N3O3 and a molecular weight of 393.49 g/mol. Its IUPAC name is N-[2-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound NameN-[2-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID16974167
Molecular FormulaC23H27N3O3
Molecular Weight393.49 g/mol
Exact Mass393.21
IUPAC NameN-[2-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
SMILESC=CCc1ccc(OCCn2c(CCNC(C)=O)nc3ccccc32)c(OC)c1
InChIInChI=1S/C23H27N3O3/c1-4-7-18-10-11-21(22(16-18)28-3)29-15-14-26-20-9-6-5-8-19(20)25-23(26)12-13-24-17(2)27/h4-6,8-11,16H,1,7,12-15H2,2-3H3,(H,24,27)
InChIKeyCRTUDVRNGBQLLH-UHFFFAOYSA-N
XLogP3.53
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.49
LogP ≤ 53.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

3,4,5-trimethoxy-N-[2-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977029
2-methoxy-N-[2-[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974644
N-[[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide
CID 17005961
N-[5-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988032
N-[3-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]-3-phenylpropanamide
CID 16986052
4-bromo-N-[2-[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977544
N-[3-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
CID 16985080
N-[5-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992892
N-[[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006832
2-methoxy-N-[3-[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16981333
N-[[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide
CID 16970965
2-(2,5-dimethylphenoxy)-N-[2-[1-[4-(2-methoxy-4-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978712

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of N-[2-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide (CID 16974167) is N-[2-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for N-[2-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for N-[2-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide is C=CCc1ccc(OCCn2c(CCNC(C)=O)nc3ccccc32)c(OC)c1.
What is the InChIKey of N-[2-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is CRTUDVRNGBQLLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H27N3O3/c1-4-7-18-10-11-21(22(16-18)28-3)29-15-14-26-20-9-6-5-8-19(20)25-23(26)12-13-24-17(2)27/h4-6,8-11,16H,1,7,12-15H2,2-3H3,(H,24,27).
What are the key properties of N-[2-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide?
N-[2-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 393.49 g/mol, XLogP of 3.53, 10 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[2-(2-methoxy-4-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16974167), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).