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

C25H33N3O2 — CID 16981010

IUPAC2-ethyl-N-[3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]butanamide
SMILESCCC(CC)C(=O)NCCCc1nc2ccccc2n1CCOc1cccc(C)c1
InChIInChI=1S/C25H33N3O2/c1-4-20(5-2)25(29)26-15-9-14-24-27-22-12-6-7-13-23(22)28(24)16-17-30-21-11-8-10-19(3)18-21/h6-8,10-13,18,20H,4-5,9,14-17H2,1-3H3,(H,26,29)
InChIKeyMPUPKNKSTIYKQH-UHFFFAOYSA-N
MW407.56 g/mol
LogP4.91
Rot. Bonds11

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

2-ethyl-N-[3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]butanamide (PubChem CID 16981010) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-ethyl-N-[3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]butanamide
PubChem CID16981010
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name2-ethyl-N-[3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]butanamide
SMILESCCC(CC)C(=O)NCCCc1nc2ccccc2n1CCOc1cccc(C)c1
InChIInChI=1S/C25H33N3O2/c1-4-20(5-2)25(29)26-15-9-14-24-27-22-12-6-7-13-23(22)28(24)16-17-30-21-11-8-10-19(3)18-21/h6-8,10-13,18,20H,4-5,9,14-17H2,1-3H3,(H,26,29)
InChIKeyMPUPKNKSTIYKQH-UHFFFAOYSA-N
XLogP4.91
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 ≤ 54.91
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-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]butanamide
CID 16981036
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
2-ethyl-N-[3-[1-(3-phenoxypropyl)benzimidazol-2-yl]propyl]butanamide
CID 16981023
N-[5-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]acetamide
CID 16987872
2-ethyl-N-[2-[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974759
N-[3-[1-[2-(4-butan-2-ylphenoxy)ethyl]benzimidazol-2-yl]propyl]-2-ethylbutanamide
CID 16981018
N-[5-[1-[2-(4-chloro-3-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-2-ethylbutanamide
CID 16988523
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986299
2-ethyl-N-[5-[1-[2-(5-methyl-2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988513

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]butanamide?
The IUPAC name of 2-ethyl-N-[3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]butanamide (CID 16981010) is 2-ethyl-N-[3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]butanamide?
The canonical SMILES for 2-ethyl-N-[3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]butanamide is CCC(CC)C(=O)NCCCc1nc2ccccc2n1CCOc1cccc(C)c1.
What is the InChIKey of 2-ethyl-N-[3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]butanamide?
The InChIKey is MPUPKNKSTIYKQH-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-4-20(5-2)25(29)26-15-9-14-24-27-22-12-6-7-13-23(22)28(24)16-17-30-21-11-8-10-19(3)18-21/h6-8,10-13,18,20H,4-5,9,14-17H2,1-3H3,(H,26,29).
What are the key properties of 2-ethyl-N-[3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]butanamide?
2-ethyl-N-[3-[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]butanamide has a molecular weight of 407.56 g/mol, XLogP of 4.91, 11 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-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]propyl]butanamide is sourced from PubChem (CID 16981010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).