2-pentadecyl-2H-benzimidazole

C22H36N2 — CID 70397933

IUPAC2-pentadecyl-2H-benzimidazole
SMILESCCCCCCCCCCCCCCCC1N=c2ccccc2=N1
InChIInChI=1S/C22H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-22-23-20-17-15-16-18-21(20)24-22/h15-18,22H,2-14,19H2,1H3
InChIKeyVXWYIFBOLIRIBW-UHFFFAOYSA-N
MW328.54 g/mol
LogP5.75
Rot. Bonds14

About 2-pentadecyl-2H-benzimidazole

2-pentadecyl-2H-benzimidazole (PubChem CID 70397933) has the molecular formula C22H36N2 and a molecular weight of 328.54 g/mol. Its IUPAC name is 2-pentadecyl-2H-benzimidazole.

Molecular Properties

Compound Name2-pentadecyl-2H-benzimidazole
PubChem CID70397933
Molecular FormulaC22H36N2
Molecular Weight328.54 g/mol
Exact Mass328.29
IUPAC Name2-pentadecyl-2H-benzimidazole
SMILESCCCCCCCCCCCCCCCC1N=c2ccccc2=N1
InChIInChI=1S/C22H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-22-23-20-17-15-16-18-21(20)24-22/h15-18,22H,2-14,19H2,1H3
InChIKeyVXWYIFBOLIRIBW-UHFFFAOYSA-N
XLogP5.75
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds14
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500328.54
LogP ≤ 55.75
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-pentadecyl-2H-benzimidazole?
The IUPAC name of 2-pentadecyl-2H-benzimidazole (CID 70397933) is 2-pentadecyl-2H-benzimidazole.
What is the SMILES notation for 2-pentadecyl-2H-benzimidazole?
The canonical SMILES for 2-pentadecyl-2H-benzimidazole is CCCCCCCCCCCCCCCC1N=c2ccccc2=N1.
What is the InChIKey of 2-pentadecyl-2H-benzimidazole?
The InChIKey is VXWYIFBOLIRIBW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H36N2/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-19-22-23-20-17-15-16-18-21(20)24-22/h15-18,22H,2-14,19H2,1H3.
What are the key properties of 2-pentadecyl-2H-benzimidazole?
2-pentadecyl-2H-benzimidazole has a molecular weight of 328.54 g/mol, XLogP of 5.75, 14 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-pentadecyl-2H-benzimidazole is sourced from PubChem (CID 70397933), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).