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

C26H35N3O2 — CID 16981036

IUPAC2-ethyl-N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide
SMILESCCC(CC)C(=O)NCCCc1nc2ccccc2n1CCCOc1cccc(C)c1
InChIInChI=1S/C26H35N3O2/c1-4-21(5-2)26(30)27-16-9-15-25-28-23-13-6-7-14-24(23)29(25)17-10-18-31-22-12-8-11-20(3)19-22/h6-8,11-14,19,21H,4-5,9-10,15-18H2,1-3H3,(H,27,30)
InChIKeyYYVFXTRPQXYQHS-UHFFFAOYSA-N
MW421.59 g/mol
LogP5.30
Rot. Bonds12

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

2-ethyl-N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide (PubChem CID 16981036) has the molecular formula C26H35N3O2 and a molecular weight of 421.59 g/mol. Its IUPAC name is 2-ethyl-N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide
PubChem CID16981036
Molecular FormulaC26H35N3O2
Molecular Weight421.59 g/mol
Exact Mass421.27
IUPAC Name2-ethyl-N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide
SMILESCCC(CC)C(=O)NCCCc1nc2ccccc2n1CCCOc1cccc(C)c1
InChIInChI=1S/C26H35N3O2/c1-4-21(5-2)26(30)27-16-9-15-25-28-23-13-6-7-14-24(23)29(25)17-10-18-31-22-12-8-11-20(3)19-22/h6-8,11-14,19,21H,4-5,9-10,15-18H2,1-3H3,(H,27,30)
InChIKeyYYVFXTRPQXYQHS-UHFFFAOYSA-N
XLogP5.30
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds12
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500421.59
LogP ≤ 55.30
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-[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
2-ethyl-N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]butanamide
CID 16981023
2-methyl-N-[3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]propanamide
CID 16980848
2-ethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]butanamide
CID 17006406
N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-ethylbutanamide
CID 16988521
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986299
N-[2-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974787
N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989356
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]pyridine-3-carboxamide
CID 16964479
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982120
N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992920

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide?
The IUPAC name of 2-ethyl-N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide (CID 16981036) is 2-ethyl-N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide?
The canonical SMILES for 2-ethyl-N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide is CCC(CC)C(=O)NCCCc1nc2ccccc2n1CCCOc1cccc(C)c1.
What is the InChIKey of 2-ethyl-N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide?
The InChIKey is YYVFXTRPQXYQHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O2/c1-4-21(5-2)26(30)27-16-9-15-25-28-23-13-6-7-14-24(23)29(25)17-10-18-31-22-12-8-11-20(3)19-22/h6-8,11-14,19,21H,4-5,9-10,15-18H2,1-3H3,(H,27,30).
What are the key properties of 2-ethyl-N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide?
2-ethyl-N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide has a molecular weight of 421.59 g/mol, XLogP of 5.30, 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-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide is sourced from PubChem (CID 16981036), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).