2-decyl-N-(2-oxobenzimidazol-5-yl)tetradecanamide

C31H51N3O2 — CID 67004442

IUPAC2-decyl-N-(2-oxobenzimidazol-5-yl)tetradecanamide
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)C(=O)Nc1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C31H51N3O2/c1-3-5-7-9-11-13-14-16-18-20-22-26(21-19-17-15-12-10-8-6-4-2)30(35)32-27-23-24-28-29(25-27)34-31(36)33-28/h23-26H,3-22H2,1-2H3,(H,32,35)
InChIKeyQTGMMQGETALNLX-UHFFFAOYSA-N
MW497.77 g/mol
LogP8.46
Rot. Bonds22

About 2-decyl-N-(2-oxobenzimidazol-5-yl)tetradecanamide

2-decyl-N-(2-oxobenzimidazol-5-yl)tetradecanamide (PubChem CID 67004442) has the molecular formula C31H51N3O2 and a molecular weight of 497.77 g/mol. Its IUPAC name is 2-decyl-N-(2-oxobenzimidazol-5-yl)tetradecanamide.

Molecular Properties

Compound Name2-decyl-N-(2-oxobenzimidazol-5-yl)tetradecanamide
PubChem CID67004442
Molecular FormulaC31H51N3O2
Molecular Weight497.77 g/mol
Exact Mass497.40
IUPAC Name2-decyl-N-(2-oxobenzimidazol-5-yl)tetradecanamide
SMILESCCCCCCCCCCCCC(CCCCCCCCCC)C(=O)Nc1ccc2c(c1)=NC(=O)N=2
InChIInChI=1S/C31H51N3O2/c1-3-5-7-9-11-13-14-16-18-20-22-26(21-19-17-15-12-10-8-6-4-2)30(35)32-27-23-24-28-29(25-27)34-31(36)33-28/h23-26H,3-22H2,1-2H3,(H,32,35)
InChIKeyQTGMMQGETALNLX-UHFFFAOYSA-N
XLogP8.46
TPSA70.89 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds22
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500497.77
LogP ≤ 58.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-decyl-N-(2-oxobenzimidazol-5-yl)tetradecanamide?
The IUPAC name of 2-decyl-N-(2-oxobenzimidazol-5-yl)tetradecanamide (CID 67004442) is 2-decyl-N-(2-oxobenzimidazol-5-yl)tetradecanamide.
What is the SMILES notation for 2-decyl-N-(2-oxobenzimidazol-5-yl)tetradecanamide?
The canonical SMILES for 2-decyl-N-(2-oxobenzimidazol-5-yl)tetradecanamide is CCCCCCCCCCCCC(CCCCCCCCCC)C(=O)Nc1ccc2c(c1)=NC(=O)N=2.
What is the InChIKey of 2-decyl-N-(2-oxobenzimidazol-5-yl)tetradecanamide?
The InChIKey is QTGMMQGETALNLX-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H51N3O2/c1-3-5-7-9-11-13-14-16-18-20-22-26(21-19-17-15-12-10-8-6-4-2)30(35)32-27-23-24-28-29(25-27)34-31(36)33-28/h23-26H,3-22H2,1-2H3,(H,32,35).
What are the key properties of 2-decyl-N-(2-oxobenzimidazol-5-yl)tetradecanamide?
2-decyl-N-(2-oxobenzimidazol-5-yl)tetradecanamide has a molecular weight of 497.77 g/mol, XLogP of 8.46, 22 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-decyl-N-(2-oxobenzimidazol-5-yl)tetradecanamide is sourced from PubChem (CID 67004442), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).