N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide

C23H29N3O2 — CID 16974334

IUPACN-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1nc2ccccc2n1CCCOc1ccc(CC)cc1
InChIInChI=1S/C23H29N3O2/c1-3-18-10-12-19(13-11-18)28-17-7-16-26-21-9-6-5-8-20(21)25-22(26)14-15-24-23(27)4-2/h5-6,8-13H,3-4,7,14-17H2,1-2H3,(H,24,27)
InChIKeyOLSCPSRGEFBWHW-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.14
Rot. Bonds10

About N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide

N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide (PubChem CID 16974334) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide.

Molecular Properties

Compound NameN-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
PubChem CID16974334
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide
SMILESCCC(=O)NCCc1nc2ccccc2n1CCCOc1ccc(CC)cc1
InChIInChI=1S/C23H29N3O2/c1-3-18-10-12-19(13-11-18)28-17-7-16-26-21-9-6-5-8-20(21)25-22(26)14-15-24-23(27)4-2/h5-6,8-13H,3-4,7,14-17H2,1-2H3,(H,24,27)
InChIKeyOLSCPSRGEFBWHW-UHFFFAOYSA-N
XLogP4.14
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980720
2-(4-chlorophenyl)-N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979490
N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974358
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992932
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988234
N-[2-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16974172
N-[5-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988071
N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-4-fluorobenzamide
CID 16977369
2-(4-chlorophenoxy)-N-[3-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16986473
2-(3,4-dimethoxyphenyl)-N-[2-[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16979838
N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988066
N-[3-[1-[2-(4-ethylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986279

Frequently Asked Questions

What is the IUPAC name of N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide?
The IUPAC name of N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide (CID 16974334) is N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide.
What is the SMILES notation for N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide?
The canonical SMILES for N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide is CCC(=O)NCCc1nc2ccccc2n1CCCOc1ccc(CC)cc1.
What is the InChIKey of N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide?
The InChIKey is OLSCPSRGEFBWHW-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-3-18-10-12-19(13-11-18)28-17-7-16-26-21-9-6-5-8-20(21)25-22(26)14-15-24-23(27)4-2/h5-6,8-13H,3-4,7,14-17H2,1-2H3,(H,24,27).
What are the key properties of N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide?
N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide has a molecular weight of 379.50 g/mol, XLogP of 4.14, 10 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]ethyl]propanamide is sourced from PubChem (CID 16974334), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).