N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide

C25H33N3O2 — CID 16988024

IUPACN-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
SMILESCCC(=O)NCCCCCc1nc2ccccc2n1CCOc1ccc(C)cc1C
InChIInChI=1S/C25H33N3O2/c1-4-25(29)26-15-9-5-6-12-24-27-21-10-7-8-11-22(21)28(24)16-17-30-23-14-13-19(2)18-20(23)3/h7-8,10-11,13-14,18H,4-6,9,12,15-17H2,1-3H3,(H,26,29)
InChIKeyZMHITPVEQRLWEU-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.97
Rot. Bonds11

About N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide

N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide (PubChem CID 16988024) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide.

Molecular Properties

Compound NameN-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
PubChem CID16988024
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC NameN-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
SMILESCCC(=O)NCCCCCc1nc2ccccc2n1CCOc1ccc(C)cc1C
InChIInChI=1S/C25H33N3O2/c1-4-25(29)26-15-9-5-6-12-24-27-21-10-7-8-11-22(21)28(24)16-17-30-23-14-13-19(2)18-20(23)3/h7-8,10-11,13-14,18H,4-6,9,12,15-17H2,1-3H3,(H,26,29)
InChIKeyZMHITPVEQRLWEU-UHFFFAOYSA-N
XLogP4.97
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide 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-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988186
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987862
N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988241
N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide
CID 16993587
N-[3-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980702
N-[5-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988030
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991264
N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]cyclopropanecarboxamide
CID 16989213
N-[5-[1-[3-(2,4-dimethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-methylprop-2-enamide
CID 16992424
2-(2-chlorophenyl)-N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993749
N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992291
2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989642

Frequently Asked Questions

What is the IUPAC name of N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide?
The IUPAC name of N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide (CID 16988024) is N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide.
What is the SMILES notation for N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide?
The canonical SMILES for N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide is CCC(=O)NCCCCCc1nc2ccccc2n1CCOc1ccc(C)cc1C.
What is the InChIKey of N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide?
The InChIKey is ZMHITPVEQRLWEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-4-25(29)26-15-9-5-6-12-24-27-21-10-7-8-11-22(21)28(24)16-17-30-23-14-13-19(2)18-20(23)3/h7-8,10-11,13-14,18H,4-6,9,12,15-17H2,1-3H3,(H,26,29).
What are the key properties of N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide?
N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide has a molecular weight of 407.56 g/mol, XLogP of 4.97, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[5-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]propanamide is sourced from PubChem (CID 16988024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).