2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide

C22H27N3O2 — CID 55799713

IUPAC2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NCCCCOc1ccc(C)cc1
InChIInChI=1S/C22H27N3O2/c1-3-21-24-19-8-4-5-9-20(19)25(21)16-22(26)23-14-6-7-15-27-18-12-10-17(2)11-13-18/h4-5,8-13H,3,6-7,14-16H2,1-2H3,(H,23,26)
InChIKeyFMDFZOMMJYWWJV-UHFFFAOYSA-N
MW365.48 g/mol
LogP3.88
Rot. Bonds9

About 2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide

2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide (PubChem CID 55799713) has the molecular formula C22H27N3O2 and a molecular weight of 365.48 g/mol. Its IUPAC name is 2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide.

Molecular Properties

Compound Name2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide
PubChem CID55799713
Molecular FormulaC22H27N3O2
Molecular Weight365.48 g/mol
Exact Mass365.21
IUPAC Name2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide
SMILESCCc1nc2ccccc2n1CC(=O)NCCCCOc1ccc(C)cc1
InChIInChI=1S/C22H27N3O2/c1-3-21-24-19-8-4-5-9-20(19)25(21)16-22(26)23-14-6-7-15-27-18-12-10-17(2)11-13-18/h4-5,8-13H,3,6-7,14-16H2,1-2H3,(H,23,26)
InChIKeyFMDFZOMMJYWWJV-UHFFFAOYSA-N
XLogP3.88
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.48
LogP ≤ 53.88
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

N-[5-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988292
N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]propanamide
CID 16988066
2-(4-chlorophenoxy)-N-[5-[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993314
2-(2-ethylbenzimidazol-1-yl)-N-(2-naphthalen-1-yloxyethyl)acetamide
CID 55889267
N-butyl-2-[2-[(3-methylphenoxy)methyl]benzimidazol-1-yl]acetamide
CID 17031952
N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-(2-methylphenyl)acetamide
CID 16993574
2-(4-methoxyphenyl)-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16994060
N-(4-ethoxyphenyl)-2-(2-ethylbenzimidazol-1-yl)acetamide
CID 3460449
N-[[1-[2-(4-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]propanamide
CID 17006087
2-(2-methylbenzimidazol-1-yl)-N-(2-phenoxyethyl)acetamide
CID 51190450
N-[3-(2-methylbenzimidazol-1-yl)propyl]-2-[2-(phenoxymethyl)benzimidazol-1-yl]acetamide
CID 112767743
N-[3-[1-[2-(butylamino)-2-oxoethyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 17031580

Frequently Asked Questions

What is the IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide?
The IUPAC name of 2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide (CID 55799713) is 2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide.
What is the SMILES notation for 2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide?
The canonical SMILES for 2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide is CCc1nc2ccccc2n1CC(=O)NCCCCOc1ccc(C)cc1.
What is the InChIKey of 2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide?
The InChIKey is FMDFZOMMJYWWJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27N3O2/c1-3-21-24-19-8-4-5-9-20(19)25(21)16-22(26)23-14-6-7-15-27-18-12-10-17(2)11-13-18/h4-5,8-13H,3,6-7,14-16H2,1-2H3,(H,23,26).
What are the key properties of 2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide?
2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide has a molecular weight of 365.48 g/mol, XLogP of 3.88, 9 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-ethylbenzimidazol-1-yl)-N-[4-(4-methylphenoxy)butyl]acetamide is sourced from PubChem (CID 55799713), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).