2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide

C21H33N3O2 — CID 16974546

IUPAC2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide
SMILESCCCCCCCCCn1c(CCNC(=O)COC)nc2ccccc21
InChIInChI=1S/C21H33N3O2/c1-3-4-5-6-7-8-11-16-24-19-13-10-9-12-18(19)23-20(24)14-15-22-21(25)17-26-2/h9-10,12-13H,3-8,11,14-17H2,1-2H3,(H,22,25)
InChIKeyYDJASZQPKORPQN-UHFFFAOYSA-N
MW359.51 g/mol
LogP4.09
Rot. Bonds13

About 2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide

2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide (PubChem CID 16974546) has the molecular formula C21H33N3O2 and a molecular weight of 359.51 g/mol. Its IUPAC name is 2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide.

Molecular Properties

Compound Name2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide
PubChem CID16974546
Molecular FormulaC21H33N3O2
Molecular Weight359.51 g/mol
Exact Mass359.26
IUPAC Name2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide
SMILESCCCCCCCCCn1c(CCNC(=O)COC)nc2ccccc21
InChIInChI=1S/C21H33N3O2/c1-3-4-5-6-7-8-11-16-24-19-13-10-9-12-18(19)23-20(24)14-15-22-21(25)17-26-2/h9-10,12-13H,3-8,11,14-17H2,1-2H3,(H,22,25)
InChIKeyYDJASZQPKORPQN-UHFFFAOYSA-N
XLogP4.09
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds13
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.51
LogP ≤ 54.09
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-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide
CID 16981267
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide
CID 16978455
N-[2-(1-decylbenzimidazol-2-yl)ethyl]-2-(2-methylphenyl)acetamide
CID 16979081
N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16975728
2-methoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16981376
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
2-(4-chlorophenyl)-N-[2-(1-heptylbenzimidazol-2-yl)ethyl]acetamide
CID 16979402
N-[2-(1-dodecylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16979893
N-[2-(1-heptylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 16976194
2-methoxy-N-[2-(1-octadecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976201
N-[2-(1-nonylbenzimidazol-2-yl)ethyl]-2-(4-phenylphenyl)acetamide
CID 16979890
N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 16986228

Frequently Asked Questions

What is the IUPAC name of 2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide?
The IUPAC name of 2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide (CID 16974546) is 2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide.
What is the SMILES notation for 2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide?
The canonical SMILES for 2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide is CCCCCCCCCn1c(CCNC(=O)COC)nc2ccccc21.
What is the InChIKey of 2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide?
The InChIKey is YDJASZQPKORPQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H33N3O2/c1-3-4-5-6-7-8-11-16-24-19-13-10-9-12-18(19)23-20(24)14-15-22-21(25)17-26-2/h9-10,12-13H,3-8,11,14-17H2,1-2H3,(H,22,25).
What are the key properties of 2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide?
2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide has a molecular weight of 359.51 g/mol, XLogP of 4.09, 13 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide is sourced from PubChem (CID 16974546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).