2-(2,5-dimethylphenoxy)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide

C31H45N3O2 — CID 16993008

IUPAC2-(2,5-dimethylphenoxy)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide
SMILESCCCCCCCCCn1c(CCCCCNC(=O)COc2cc(C)ccc2C)nc2ccccc21
InChIInChI=1S/C31H45N3O2/c1-4-5-6-7-8-9-15-22-34-28-17-13-12-16-27(28)33-30(34)18-11-10-14-21-32-31(35)24-36-29-23-25(2)19-20-26(29)3/h12-13,16-17,19-20,23H,4-11,14-15,18,21-22,24H2,1-3H3,(H,32,35)
InChIKeyNPPUFPZVRRKWPJ-UHFFFAOYSA-N
MW491.72 g/mol
LogP7.31
Rot. Bonds17

About 2-(2,5-dimethylphenoxy)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide

2-(2,5-dimethylphenoxy)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide (PubChem CID 16993008) has the molecular formula C31H45N3O2 and a molecular weight of 491.72 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide
PubChem CID16993008
Molecular FormulaC31H45N3O2
Molecular Weight491.72 g/mol
Exact Mass491.35
IUPAC Name2-(2,5-dimethylphenoxy)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide
SMILESCCCCCCCCCn1c(CCCCCNC(=O)COc2cc(C)ccc2C)nc2ccccc21
InChIInChI=1S/C31H45N3O2/c1-4-5-6-7-8-9-15-22-34-28-17-13-12-16-27(28)33-30(34)18-11-10-14-21-32-31(35)24-36-29-23-25(2)19-20-26(29)3/h12-13,16-17,19-20,23H,4-11,14-15,18,21-22,24H2,1-3H3,(H,32,35)
InChIKeyNPPUFPZVRRKWPJ-UHFFFAOYSA-N
XLogP7.31
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds17
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500491.72
LogP ≤ 57.31
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-(2,5-dimethylphenoxy)-N-[5-(1-octylbenzimidazol-2-yl)pentyl]acetamide
CID 16993007
N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16978605
2-(2,5-dimethylphenoxy)-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993088
2-(2,5-dimethylphenoxy)-N-[5-[1-[3-(2-propan-2-ylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993076
2-(2,5-dimethylphenoxy)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993020
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide
CID 16992849
ethyl 2-[2-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]propyl]benzimidazol-1-yl]acetate
CID 16986686
N-[3-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]propyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16986657
methyl 2-[2-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]propyl]benzimidazol-1-yl]acetate
CID 16986685
N-[5-[1-[4-(2,4-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]butanamide
CID 16988241
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989608

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide (CID 16993008) is 2-(2,5-dimethylphenoxy)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide is CCCCCCCCCn1c(CCCCCNC(=O)COc2cc(C)ccc2C)nc2ccccc21.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide?
The InChIKey is NPPUFPZVRRKWPJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H45N3O2/c1-4-5-6-7-8-9-15-22-34-28-17-13-12-16-27(28)33-30(34)18-11-10-14-21-32-31(35)24-36-29-23-25(2)19-20-26(29)3/h12-13,16-17,19-20,23H,4-11,14-15,18,21-22,24H2,1-3H3,(H,32,35).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide?
2-(2,5-dimethylphenoxy)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide has a molecular weight of 491.72 g/mol, XLogP of 7.31, 17 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[5-(1-nonylbenzimidazol-2-yl)pentyl]acetamide is sourced from PubChem (CID 16993008), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).