2-hexadecan-7-yl-1H-benzimidazole

C23H38N2 — CID 54269360

IUPAC2-hexadecan-7-yl-1H-benzimidazole
SMILESCCCCCCCCCC(CCCCCC)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H38N2/c1-3-5-7-9-10-11-13-17-20(16-12-8-6-4-2)23-24-21-18-14-15-19-22(21)25-23/h14-15,18-20H,3-13,16-17H2,1-2H3,(H,24,25)
InChIKeyRJBAKXCFLPLUBD-UHFFFAOYSA-N
MW342.57 g/mol
LogP7.76
Rot. Bonds14

About 2-hexadecan-7-yl-1H-benzimidazole

2-hexadecan-7-yl-1H-benzimidazole (PubChem CID 54269360) has the molecular formula C23H38N2 and a molecular weight of 342.57 g/mol. Its IUPAC name is 2-hexadecan-7-yl-1H-benzimidazole.

Molecular Properties

Compound Name2-hexadecan-7-yl-1H-benzimidazole
PubChem CID54269360
Molecular FormulaC23H38N2
Molecular Weight342.57 g/mol
Exact Mass342.30
IUPAC Name2-hexadecan-7-yl-1H-benzimidazole
SMILESCCCCCCCCCC(CCCCCC)c1nc2ccccc2[nH]1
InChIInChI=1S/C23H38N2/c1-3-5-7-9-10-11-13-17-20(16-12-8-6-4-2)23-24-21-18-14-15-19-22(21)25-23/h14-15,18-20H,3-13,16-17H2,1-2H3,(H,24,25)
InChIKeyRJBAKXCFLPLUBD-UHFFFAOYSA-N
XLogP7.76
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds14
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500342.57
LogP ≤ 57.76
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Related Compounds

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N-[1-(1H-benzimidazol-2-yl)ethyl]hexan-2-amine
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N-[1-(1H-benzimidazol-2-yl)pentyl]acetamide
CID 4652021
2-(2-naphthalen-1-ylheptyl)-1H-benzimidazole
CID 175558320
[(1S)-1-(1H-benzimidazol-2-yl)propyl]azanium
CID 6955866
N-[1-(1H-benzimidazol-2-yl)propyl]-N-methylbutan-1-amine
CID 82336426
2-(1,3-diphenylpropan-2-yl)-1H-benzimidazole
CID 139651881
2-docosyl-1H-benzimidazole
CID 141189761
2-propan-2-yl-1H-benzimidazole
CID 22121
2-(1H-benzimidazol-2-yl)-3-oxooctanenitrile
CID 47108252
2-undecan-5-yl-1H-benzimidazole-5,6-dicarbonitrile
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CID 139950764

Frequently Asked Questions

What is the IUPAC name of 2-hexadecan-7-yl-1H-benzimidazole?
The IUPAC name of 2-hexadecan-7-yl-1H-benzimidazole (CID 54269360) is 2-hexadecan-7-yl-1H-benzimidazole.
What is the SMILES notation for 2-hexadecan-7-yl-1H-benzimidazole?
The canonical SMILES for 2-hexadecan-7-yl-1H-benzimidazole is CCCCCCCCCC(CCCCCC)c1nc2ccccc2[nH]1.
What is the InChIKey of 2-hexadecan-7-yl-1H-benzimidazole?
The InChIKey is RJBAKXCFLPLUBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H38N2/c1-3-5-7-9-10-11-13-17-20(16-12-8-6-4-2)23-24-21-18-14-15-19-22(21)25-23/h14-15,18-20H,3-13,16-17H2,1-2H3,(H,24,25).
What are the key properties of 2-hexadecan-7-yl-1H-benzimidazole?
2-hexadecan-7-yl-1H-benzimidazole has a molecular weight of 342.57 g/mol, XLogP of 7.76, 14 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hexadecan-7-yl-1H-benzimidazole is sourced from PubChem (CID 54269360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).