N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide

C23H29N3O2 — CID 16978455

IUPACN-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide
SMILESCCCCCCn1c(CCNC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-2-3-4-10-17-26-21-14-9-8-13-20(21)25-22(26)15-16-24-23(27)18-28-19-11-6-5-7-12-19/h5-9,11-14H,2-4,10,15-18H2,1H3,(H,24,27)
InChIKeyHQJDBALUUDEFNB-UHFFFAOYSA-N
MW379.50 g/mol
LogP4.35
Rot. Bonds11

About N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide

N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide (PubChem CID 16978455) has the molecular formula C23H29N3O2 and a molecular weight of 379.50 g/mol. Its IUPAC name is N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide.

Molecular Properties

Compound NameN-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide
PubChem CID16978455
Molecular FormulaC23H29N3O2
Molecular Weight379.50 g/mol
Exact Mass379.23
IUPAC NameN-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide
SMILESCCCCCCn1c(CCNC(=O)COc2ccccc2)nc2ccccc21
InChIInChI=1S/C23H29N3O2/c1-2-3-4-10-17-26-21-14-9-8-13-20(21)25-22(26)15-16-24-23(27)18-28-19-11-6-5-7-12-19/h5-9,11-14H,2-4,10,15-18H2,1H3,(H,24,27)
InChIKeyHQJDBALUUDEFNB-UHFFFAOYSA-N
XLogP4.35
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds11
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.50
LogP ≤ 54.35
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-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]-2-phenoxyacetamide
CID 16970928
2-phenoxy-N-[2-[1-(3-phenoxypropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16978511
2-phenoxy-N-[3-(1-propylbenzimidazol-2-yl)propyl]acetamide
CID 4753652
2-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide
CID 16974546
2-phenoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16992936
N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]butanamide
CID 16974426
methyl 2-[2-[2-[(2-phenoxyacetyl)amino]ethyl]benzimidazol-1-yl]acetate
CID 16978586
N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide
CID 16981267
N-[5-[1-[3-(4-ethylphenoxy)propyl]benzimidazol-2-yl]pentyl]-2-phenoxyacetamide
CID 16992932

Frequently Asked Questions

What is the IUPAC name of N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide?
The IUPAC name of N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide (CID 16978455) is N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide.
What is the SMILES notation for N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide?
The canonical SMILES for N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide is CCCCCCn1c(CCNC(=O)COc2ccccc2)nc2ccccc21.
What is the InChIKey of N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide?
The InChIKey is HQJDBALUUDEFNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29N3O2/c1-2-3-4-10-17-26-21-14-9-8-13-20(21)25-22(26)15-16-24-23(27)18-28-19-11-6-5-7-12-19/h5-9,11-14H,2-4,10,15-18H2,1H3,(H,24,27).
What are the key properties of N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide?
N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide has a molecular weight of 379.50 g/mol, XLogP of 4.35, 11 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1-hexylbenzimidazol-2-yl)ethyl]-2-phenoxyacetamide is sourced from PubChem (CID 16978455), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).