2-ethyl-N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide

C27H37N3O2 — CID 16981065

IUPAC2-ethyl-N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide
SMILESCCC(CC)C(=O)NCCCc1nc2ccccc2n1CCCCOc1cccc(C)c1
InChIInChI=1S/C27H37N3O2/c1-4-22(5-2)27(31)28-17-11-16-26-29-24-14-6-7-15-25(24)30(26)18-8-9-19-32-23-13-10-12-21(3)20-23/h6-7,10,12-15,20,22H,4-5,8-9,11,16-19H2,1-3H3,(H,28,31)
InChIKeyBJBFETQGLWFIJT-UHFFFAOYSA-N
MW435.61 g/mol
LogP5.69
Rot. Bonds13

About 2-ethyl-N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide

2-ethyl-N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide (PubChem CID 16981065) has the molecular formula C27H37N3O2 and a molecular weight of 435.61 g/mol. Its IUPAC name is 2-ethyl-N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide.

Molecular Properties

Compound Name2-ethyl-N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide
PubChem CID16981065
Molecular FormulaC27H37N3O2
Molecular Weight435.61 g/mol
Exact Mass435.29
IUPAC Name2-ethyl-N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide
SMILESCCC(CC)C(=O)NCCCc1nc2ccccc2n1CCCCOc1cccc(C)c1
InChIInChI=1S/C27H37N3O2/c1-4-22(5-2)27(31)28-17-11-16-26-29-24-14-6-7-15-25(24)30(26)18-8-9-19-32-23-13-10-12-21(3)20-23/h6-7,10,12-15,20,22H,4-5,8-9,11,16-19H2,1-3H3,(H,28,31)
InChIKeyBJBFETQGLWFIJT-UHFFFAOYSA-N
XLogP5.69
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500435.61
LogP ≤ 55.69
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-[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-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]cyclopropanecarboxamide
CID 16981724
N-[3-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]propyl]-2-phenoxyacetamide
CID 16986299
N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]thiophene-2-carboxamide
CID 16982149
N-[2-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-2-ethylbutanamide
CID 16974787
2-methyl-N-[5-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]prop-2-enamide
CID 16992463
N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989356

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide?
The IUPAC name of 2-ethyl-N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide (CID 16981065) is 2-ethyl-N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide.
What is the SMILES notation for 2-ethyl-N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide?
The canonical SMILES for 2-ethyl-N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide is CCC(CC)C(=O)NCCCc1nc2ccccc2n1CCCCOc1cccc(C)c1.
What is the InChIKey of 2-ethyl-N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide?
The InChIKey is BJBFETQGLWFIJT-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H37N3O2/c1-4-22(5-2)27(31)28-17-11-16-26-29-24-14-6-7-15-25(24)30(26)18-8-9-19-32-23-13-10-12-21(3)20-23/h6-7,10,12-15,20,22H,4-5,8-9,11,16-19H2,1-3H3,(H,28,31).
What are the key properties of 2-ethyl-N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide?
2-ethyl-N-[3-[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide has a molecular weight of 435.61 g/mol, XLogP of 5.69, 13 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-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]propyl]butanamide is sourced from PubChem (CID 16981065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).