2-methoxy-N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide

C26H35N3O3 — CID 16974640

IUPAC2-methoxy-N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCOCC(=O)NCCc1nc2ccccc2n1CCCCOc1cc(C)ccc1C(C)C
InChIInChI=1S/C26H35N3O3/c1-19(2)21-12-11-20(3)17-24(21)32-16-8-7-15-29-23-10-6-5-9-22(23)28-25(29)13-14-27-26(30)18-31-4/h5-6,9-12,17,19H,7-8,13-16,18H2,1-4H3,(H,27,30)
InChIKeyILVFQCYQRCWNOG-UHFFFAOYSA-N
MW437.58 g/mol
LogP4.63
Rot. Bonds12

About 2-methoxy-N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide

2-methoxy-N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16974640) has the molecular formula C26H35N3O3 and a molecular weight of 437.58 g/mol. Its IUPAC name is 2-methoxy-N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID16974640
Molecular FormulaC26H35N3O3
Molecular Weight437.58 g/mol
Exact Mass437.27
IUPAC Name2-methoxy-N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCOCC(=O)NCCc1nc2ccccc2n1CCCCOc1cc(C)ccc1C(C)C
InChIInChI=1S/C26H35N3O3/c1-19(2)21-12-11-20(3)17-24(21)32-16-8-7-15-29-23-10-6-5-9-22(23)28-25(29)13-14-27-26(30)18-31-4/h5-6,9-12,17,19H,7-8,13-16,18H2,1-4H3,(H,27,30)
InChIKeyILVFQCYQRCWNOG-UHFFFAOYSA-N
XLogP4.63
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds12
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.58
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

2-methoxy-N-[5-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16988406
2-methoxy-N-[3-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]propyl]acetamide
CID 16981329
N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]propanamide
CID 16974343
2-(4-chlorophenoxy)-N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978870
N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16975813
4-methoxy-N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976776
3,4,5-trimethoxy-N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977079
2-(4-methoxyphenyl)-N-[3-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]propyl]acetamide
CID 16985616
N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]thiophene-2-carboxamide
CID 16975668
N-[2-[1-[3-(5-methyl-2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]ethyl]pyridine-2-carboxamide
CID 16966416
2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978654
N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]adamantane-1-carboxamide
CID 19243140

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide (CID 16974640) is 2-methoxy-N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide is COCC(=O)NCCc1nc2ccccc2n1CCCCOc1cc(C)ccc1C(C)C.
What is the InChIKey of 2-methoxy-N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is ILVFQCYQRCWNOG-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H35N3O3/c1-19(2)21-12-11-20(3)17-24(21)32-16-8-7-15-29-23-10-6-5-9-22(23)28-25(29)13-14-27-26(30)18-31-4/h5-6,9-12,17,19H,7-8,13-16,18H2,1-4H3,(H,27,30).
What are the key properties of 2-methoxy-N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide?
2-methoxy-N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 437.58 g/mol, XLogP of 4.63, 12 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16974640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).