2-ethyl-N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]butanamide

C25H33N3O2 — CID 16981023

IUPAC2-ethyl-N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]butanamide
SMILESCCC(CC)C(=O)NCCCc1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C25H33N3O2/c1-3-20(4-2)25(29)26-17-10-16-24-27-22-14-8-9-15-23(22)28(24)18-11-19-30-21-12-6-5-7-13-21/h5-9,12-15,20H,3-4,10-11,16-19H2,1-2H3,(H,26,29)
InChIKeyBNTARZPGJQKUAG-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.99
Rot. Bonds12

About 2-ethyl-N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]butanamide

2-ethyl-N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]butanamide (PubChem CID 16981023) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-ethyl-N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]butanamide
PubChem CID16981023
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name2-ethyl-N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]butanamide
SMILESCCC(CC)C(=O)NCCCc1nc2ccccc2n1CCCOc1ccccc1
InChIInChI=1S/C25H33N3O2/c1-3-20(4-2)25(29)26-17-10-16-24-27-22-14-8-9-15-23(22)28(24)18-11-19-30-21-12-6-5-7-13-21/h5-9,12-15,20H,3-4,10-11,16-19H2,1-2H3,(H,26,29)
InChIKeyBNTARZPGJQKUAG-UHFFFAOYSA-N
XLogP4.99
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500407.56
LogP ≤ 54.99
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

2-ethyl-N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide
CID 16981036
2-ethyl-N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide
CID 16981065
2-ethyl-N-[3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981010
N-[3-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981018
N-[2-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974787
N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-ethylbutanamide
CID 16988521
N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]acetamide
CID 16987885
N-[3-[1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986308
N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]pyridine-2-carboxamide
CID 16966248
2-ethyl-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974759
2-ethyl-N-[3-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]butanamide
CID 16981004
2-ethyl-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988571

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]butanamide?
The IUPAC name of 2-ethyl-N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]butanamide (CID 16981023) is 2-ethyl-N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]butanamide?
The canonical SMILES for 2-ethyl-N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]butanamide is CCC(CC)C(=O)NCCCc1nc2ccccc2n1CCCOc1ccccc1.
What is the InChIKey of 2-ethyl-N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]butanamide?
The InChIKey is BNTARZPGJQKUAG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-3-20(4-2)25(29)26-17-10-16-24-27-22-14-8-9-15-23(22)28(24)18-11-19-30-21-12-6-5-7-13-21/h5-9,12-15,20H,3-4,10-11,16-19H2,1-2H3,(H,26,29).
What are the key properties of 2-ethyl-N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]butanamide?
2-ethyl-N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]butanamide has a molecular weight of 407.56 g/mol, XLogP of 4.99, 12 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]butanamide is sourced from PubChem (CID 16981023), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).