1-(18-phenyloctadecyl)benzimidazole

C31H46N2 — CID 67925718

IUPAC1-(18-phenyloctadecyl)benzimidazole
SMILESc1ccc(CCCCCCCCCCCCCCCCCCn2cnc3ccccc32)cc1
InChIInChI=1S/C31H46N2/c1(3-5-7-9-11-13-16-22-29-23-17-15-18-24-29)2-4-6-8-10-12-14-21-27-33-28-32-30-25-19-20-26-31(30)33/h15,17-20,23-26,28H,1-14,16,21-22,27H2
InChIKeyAMOSUEFTWGLZQB-UHFFFAOYSA-N
MW446.72 g/mol
LogP9.52
Rot. Bonds19

About 1-(18-phenyloctadecyl)benzimidazole

1-(18-phenyloctadecyl)benzimidazole (PubChem CID 67925718) has the molecular formula C31H46N2 and a molecular weight of 446.72 g/mol. Its IUPAC name is 1-(18-phenyloctadecyl)benzimidazole.

Molecular Properties

Compound Name1-(18-phenyloctadecyl)benzimidazole
PubChem CID67925718
Molecular FormulaC31H46N2
Molecular Weight446.72 g/mol
Exact Mass446.37
IUPAC Name1-(18-phenyloctadecyl)benzimidazole
SMILESc1ccc(CCCCCCCCCCCCCCCCCCn2cnc3ccccc32)cc1
InChIInChI=1S/C31H46N2/c1(3-5-7-9-11-13-16-22-29-23-17-15-18-24-29)2-4-6-8-10-12-14-21-27-33-28-32-30-25-19-20-26-31(30)33/h15,17-20,23-26,28H,1-14,16,21-22,27H2
InChIKeyAMOSUEFTWGLZQB-UHFFFAOYSA-N
XLogP9.52
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds19
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500446.72
LogP ≤ 59.52
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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Related Compounds

1-(2-phenylethyl)benzimidazole;hydrochloride
CID 54604941
1-(6-chlorohexyl)benzimidazole
CID 62228178
6-(benzimidazol-1-yl)hexane-1-sulfonic acid
CID 18415223
1-[3-[3-(benzimidazol-1-yl)propyldisulfanyl]propyl]benzimidazole
CID 159358672
bis(1-butylbenzimidazole);ethane
CID 142164287
benzyl 4-(benzimidazol-1-yl)butanoate
CID 154459478
3-(benzimidazol-1-yl)propyl-trichlorosilane
CID 59630441
1-[3-(4-benzylpiperazine-1,4-diium-1-yl)propyl]benzimidazole dichloride
CID 110173194
3-(benzimidazol-1-yl)-N-benzylpropanamide
CID 4972644
1-[4-(4-ethylphenoxy)butyl]benzimidazole
CID 16994975
1-[2-[2-(benzimidazol-1-yl)ethoxy]ethyl]benzimidazole
CID 5190432
1-(3-ethylsulfanylpropyl)benzimidazole
CID 115650886

Frequently Asked Questions

What is the IUPAC name of 1-(18-phenyloctadecyl)benzimidazole?
The IUPAC name of 1-(18-phenyloctadecyl)benzimidazole (CID 67925718) is 1-(18-phenyloctadecyl)benzimidazole.
What is the SMILES notation for 1-(18-phenyloctadecyl)benzimidazole?
The canonical SMILES for 1-(18-phenyloctadecyl)benzimidazole is c1ccc(CCCCCCCCCCCCCCCCCCn2cnc3ccccc32)cc1.
What is the InChIKey of 1-(18-phenyloctadecyl)benzimidazole?
The InChIKey is AMOSUEFTWGLZQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C31H46N2/c1(3-5-7-9-11-13-16-22-29-23-17-15-18-24-29)2-4-6-8-10-12-14-21-27-33-28-32-30-25-19-20-26-31(30)33/h15,17-20,23-26,28H,1-14,16,21-22,27H2.
What are the key properties of 1-(18-phenyloctadecyl)benzimidazole?
1-(18-phenyloctadecyl)benzimidazole has a molecular weight of 446.72 g/mol, XLogP of 9.52, 19 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(18-phenyloctadecyl)benzimidazole is sourced from PubChem (CID 67925718), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).