2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide

C25H33N3O2 — CID 17006449

IUPAC2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide
SMILESCCC(CC)C(=O)NCc1nc2ccccc2n1CCCCOc1ccccc1C
InChIInChI=1S/C25H33N3O2/c1-4-20(5-2)25(29)26-18-24-27-21-13-7-8-14-22(21)28(24)16-10-11-17-30-23-15-9-6-12-19(23)3/h6-9,12-15,20H,4-5,10-11,16-18H2,1-3H3,(H,26,29)
InChIKeyXAMIEBPTUMDJNQ-UHFFFAOYSA-N
MW407.56 g/mol
LogP5.26
Rot. Bonds11

About 2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide

2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide (PubChem CID 17006449) has the molecular formula C25H33N3O2 and a molecular weight of 407.56 g/mol. Its IUPAC name is 2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide
PubChem CID17006449
Molecular FormulaC25H33N3O2
Molecular Weight407.56 g/mol
Exact Mass407.26
IUPAC Name2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide
SMILESCCC(CC)C(=O)NCc1nc2ccccc2n1CCCCOc1ccccc1C
InChIInChI=1S/C25H33N3O2/c1-4-20(5-2)25(29)26-18-24-27-21-13-7-8-14-22(21)28(24)16-10-11-17-30-23-15-9-6-12-19(23)3/h6-9,12-15,20H,4-5,10-11,16-18H2,1-3H3,(H,26,29)
InChIKeyXAMIEBPTUMDJNQ-UHFFFAOYSA-N
XLogP5.26
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.56
LogP ≤ 55.26
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-[2-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]butanamide
CID 16974742
N-[[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-2-ethylbutanamide
CID 17006396
N-[(1-butylbenzimidazol-2-yl)methyl]-2-ethylbutanamide
CID 17006351
N-[2-[1-[3-(2,3-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974769
2-ethyl-N-[(1-octadecylbenzimidazol-2-yl)methyl]butanamide
CID 17006363
2,2-dimethyl-N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]propanamide
CID 16969528
2-ethyl-N-[[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]methyl]butanamide
CID 17006400
N-[[1-[3-(2-methylphenoxy)propyl]benzimidazol-2-yl]methyl]pyridine-3-carboxamide
CID 16963981
2-ethyl-N-[5-[1-[4-(2-methoxyphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988571
N-[[1-[4-(2-chlorophenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006888
N-[[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]pyridine-2-carboxamide
CID 16966547
2-ethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]butanamide
CID 17006406

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide?
The IUPAC name of 2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide (CID 17006449) is 2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide?
The canonical SMILES for 2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide is CCC(CC)C(=O)NCc1nc2ccccc2n1CCCCOc1ccccc1C.
What is the InChIKey of 2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide?
The InChIKey is XAMIEBPTUMDJNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H33N3O2/c1-4-20(5-2)25(29)26-18-24-27-21-13-7-8-14-22(21)28(24)16-10-11-17-30-23-15-9-6-12-19(23)3/h6-9,12-15,20H,4-5,10-11,16-18H2,1-3H3,(H,26,29).
What are the key properties of 2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide?
2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide has a molecular weight of 407.56 g/mol, XLogP of 5.26, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[1-[4-(2-methylphenoxy)butyl]benzimidazol-2-yl]methyl]butanamide is sourced from PubChem (CID 17006449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).