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

C21H23N3O2 — CID 17005933

IUPACN-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide
SMILESC=CCc1ccccc1OCCn1c(CNC(C)=O)nc2ccccc21
InChIInChI=1S/C21H23N3O2/c1-3-8-17-9-4-7-12-20(17)26-14-13-24-19-11-6-5-10-18(19)23-21(24)15-22-16(2)25/h3-7,9-12H,1,8,13-15H2,2H3,(H,22,25)
InChIKeyHHMRMYISDXYSOP-UHFFFAOYSA-N
MW349.43 g/mol
LogP3.48
Rot. Bonds8

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

N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide (PubChem CID 17005933) has the molecular formula C21H23N3O2 and a molecular weight of 349.43 g/mol. Its IUPAC name is N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide.

Molecular Properties

Compound NameN-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide
PubChem CID17005933
Molecular FormulaC21H23N3O2
Molecular Weight349.43 g/mol
Exact Mass349.18
IUPAC NameN-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide
SMILESC=CCc1ccccc1OCCn1c(CNC(C)=O)nc2ccccc21
InChIInChI=1S/C21H23N3O2/c1-3-8-17-9-4-7-12-20(17)26-14-13-24-19-11-6-5-10-18(19)23-21(24)15-22-16(2)25/h3-7,9-12H,1,8,13-15H2,2H3,(H,22,25)
InChIKeyHHMRMYISDXYSOP-UHFFFAOYSA-N
XLogP3.48
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.43
LogP ≤ 53.48
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987867
2-methoxy-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 17006611
3-methoxy-N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17007945
2-ethyl-1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazole
CID 16996414
N-[2-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]ethyl]prop-2-enamide
CID 16980257
N-[[1-(2-naphthalen-1-yloxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005950
4-fluoro-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008938
4-bromo-N-[[1-[4-(2-prop-2-enylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17009251
4-chloro-N-[[1-[3-(2-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17009061
2,2-dimethyl-N-[5-[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988839
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005925
N-[[1-[3-(2-methoxy-4-prop-2-enylphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide
CID 17005961

Frequently Asked Questions

What is the IUPAC name of N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide?
The IUPAC name of N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide (CID 17005933) is N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide.
What is the SMILES notation for N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide?
The canonical SMILES for N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide is C=CCc1ccccc1OCCn1c(CNC(C)=O)nc2ccccc21.
What is the InChIKey of N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide?
The InChIKey is HHMRMYISDXYSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N3O2/c1-3-8-17-9-4-7-12-20(17)26-14-13-24-19-11-6-5-10-18(19)23-21(24)15-22-16(2)25/h3-7,9-12H,1,8,13-15H2,2H3,(H,22,25).
What are the key properties of N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide?
N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide has a molecular weight of 349.43 g/mol, XLogP of 3.48, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[1-[2-(2-prop-2-enylphenoxy)ethyl]benzimidazol-2-yl]methyl]acetamide is sourced from PubChem (CID 17005933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).