N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide

C32H47N3O2 — CID 16970928

IUPACN-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
SMILESCCCCCCCCCCCCCCCCn1c(CNC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C32H47N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-35-30-24-19-18-23-29(30)34-31(35)26-33-32(36)27-37-28-21-16-15-17-22-28/h15-19,21-24H,2-14,20,25-27H2,1H3,(H,33,36)
InChIKeyIJQYJVROAHDUGE-UHFFFAOYSA-N
MW505.75 g/mol
LogP8.21
Rot. Bonds20

About N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide

N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide (PubChem CID 16970928) has the molecular formula C32H47N3O2 and a molecular weight of 505.75 g/mol. Its IUPAC name is N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
PubChem CID16970928
Molecular FormulaC32H47N3O2
Molecular Weight505.75 g/mol
Exact Mass505.37
IUPAC NameN-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
SMILESCCCCCCCCCCCCCCCCn1c(CNC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C32H47N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-35-30-24-19-18-23-29(30)34-31(35)26-33-32(36)27-37-28-21-16-15-17-22-28/h15-19,21-24H,2-14,20,25-27H2,1H3,(H,33,36)
InChIKeyIJQYJVROAHDUGE-UHFFFAOYSA-N
XLogP8.21
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds20
Heavy Atoms37
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500505.75
LogP ≤ 58.21
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-(4-chlorophenoxy)-N-[(1-octylbenzimidazol-2-yl)methyl]acetamide
CID 16971079
2-(4-chlorophenoxy)-N-[(1-pentylbenzimidazol-2-yl)methyl]acetamide
CID 16971076
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide
CID 16978455
N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 16986228
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide
CID 16992849
N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 4754415
N-[(1-hexadecylbenzimidazol-2-yl)methyl]butanamide
CID 16968866
N-[[1-[3-(4-butan-2-ylphenoxy)propyl]benzimidazol-2-yl]methyl]-2-phenoxyacetamide
CID 16971002
2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 4753652
N-[(1-pentylbenzimidazol-2-yl)methyl]-3-phenylpropanamide
CID 16970596
N-[(1-benzylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide
CID 993353
N-[(1-nonylbenzimidazol-2-yl)methyl]acetamide
CID 17005899

Frequently Asked Questions

What is the IUPAC name of N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide?
The IUPAC name of N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide (CID 16970928) is N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide?
The canonical SMILES for N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide is CCCCCCCCCCCCCCCCn1c(CNC(=O)COc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide?
The InChIKey is IJQYJVROAHDUGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C32H47N3O2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-20-25-35-30-24-19-18-23-29(30)34-31(35)26-33-32(36)27-37-28-21-16-15-17-22-28/h15-19,21-24H,2-14,20,25-27H2,1H3,(H,33,36).
What are the key properties of N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide?
N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide has a molecular weight of 505.75 g/mol, XLogP of 8.21, 20 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(1-hexadecylbenzimidazol-2-yl)methyl]-2-phenoxyacetamide is sourced from PubChem (CID 16970928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).