N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide

C23H37N3O2 — CID 16981267

IUPACN-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide
SMILESCCCCCCCCCCn1c(CCCNC(=O)COC)nc2ccccc21
InChIInChI=1S/C23H37N3O2/c1-3-4-5-6-7-8-9-12-18-26-21-15-11-10-14-20(21)25-22(26)16-13-17-24-23(27)19-28-2/h10-11,14-15H,3-9,12-13,16-19H2,1-2H3,(H,24,27)
InChIKeyQDUVFKGBQFTAOD-UHFFFAOYSA-N
MW387.57 g/mol
LogP4.87
Rot. Bonds15

About N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide

N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide (PubChem CID 16981267) has the molecular formula C23H37N3O2 and a molecular weight of 387.57 g/mol. Its IUPAC name is N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide.

Molecular Properties

Compound NameN-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide
PubChem CID16981267
Molecular FormulaC23H37N3O2
Molecular Weight387.57 g/mol
Exact Mass387.29
IUPAC NameN-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide
SMILESCCCCCCCCCCn1c(CCCNC(=O)COC)nc2ccccc21
InChIInChI=1S/C23H37N3O2/c1-3-4-5-6-7-8-9-12-18-26-21-15-11-10-14-20(21)25-22(26)16-13-17-24-23(27)19-28-2/h10-11,14-15H,3-9,12-13,16-19H2,1-2H3,(H,24,27)
InChIKeyQDUVFKGBQFTAOD-UHFFFAOYSA-N
XLogP4.87
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds15
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500387.57
LogP ≤ 54.87
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-methoxy-N-[2-(1-nonylbenzimidazol-2-yl)ethyl]acetamide
CID 16974546
2-methoxy-N-[3-[1-(2-methoxyethyl)benzimidazol-2-yl]propyl]acetamide
CID 16981376
N-[3-(1-octylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 16986228
2-(4-methoxyphenyl)-N-[3-(1-nonylbenzimidazol-2-yl)propyl]acetamide
CID 16985520
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-(4-methoxyphenyl)acetamide
CID 16985517
N-[5-(1-pentylbenzimidazol-2-yl)pentyl]propanamide
CID 16987982
N-[3-(1-heptylbenzimidazol-2-yl)propyl]acetamide
CID 16980528
N-[5-(1-dodecylbenzimidazol-2-yl)pentyl]-2-phenoxyacetamide
CID 16992849
N-[3-(1-butylbenzimidazol-2-yl)propyl]-2-phenoxyacetamide
CID 4754415
2-methoxy-N-[5-[1-(4-phenoxybutyl)benzimidazol-2-yl]pentyl]acetamide
CID 16988400
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811165
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-2-methylpropanamide
CID 18811164

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide?
The IUPAC name of N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide (CID 16981267) is N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide.
What is the SMILES notation for N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide?
The canonical SMILES for N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide is CCCCCCCCCCn1c(CCCNC(=O)COC)nc2ccccc21.
What is the InChIKey of N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide?
The InChIKey is QDUVFKGBQFTAOD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H37N3O2/c1-3-4-5-6-7-8-9-12-18-26-21-15-11-10-14-20(21)25-22(26)16-13-17-24-23(27)19-28-2/h10-11,14-15H,3-9,12-13,16-19H2,1-2H3,(H,24,27).
What are the key properties of N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide?
N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide has a molecular weight of 387.57 g/mol, XLogP of 4.87, 15 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-decylbenzimidazol-2-yl)propyl]-2-methoxyacetamide is sourced from PubChem (CID 16981267), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).