5,6-difluoro-2-nonyl-1H-benzimidazole

C16H22F2N2 — CID 65427108

IUPAC5,6-difluoro-2-nonyl-1H-benzimidazole
SMILESCCCCCCCCCc1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C16H22F2N2/c1-2-3-4-5-6-7-8-9-16-19-14-10-12(17)13(18)11-15(14)20-16/h10-11H,2-9H2,1H3,(H,19,20)
InChIKeyHMQHXIWBQDZNKP-UHFFFAOYSA-N
MW280.36 g/mol
LogP5.13
Rot. Bonds8

About 5,6-difluoro-2-nonyl-1H-benzimidazole

5,6-difluoro-2-nonyl-1H-benzimidazole (PubChem CID 65427108) has the molecular formula C16H22F2N2 and a molecular weight of 280.36 g/mol. Its IUPAC name is 5,6-difluoro-2-nonyl-1H-benzimidazole.

Molecular Properties

Compound Name5,6-difluoro-2-nonyl-1H-benzimidazole
PubChem CID65427108
Molecular FormulaC16H22F2N2
Molecular Weight280.36 g/mol
Exact Mass280.18
IUPAC Name5,6-difluoro-2-nonyl-1H-benzimidazole
SMILESCCCCCCCCCc1nc2cc(F)c(F)cc2[nH]1
InChIInChI=1S/C16H22F2N2/c1-2-3-4-5-6-7-8-9-16-19-14-10-12(17)13(18)11-15(14)20-16/h10-11H,2-9H2,1H3,(H,19,20)
InChIKeyHMQHXIWBQDZNKP-UHFFFAOYSA-N
XLogP5.13
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500280.36
LogP ≤ 55.13
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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Frequently Asked Questions

What is the IUPAC name of 5,6-difluoro-2-nonyl-1H-benzimidazole?
The IUPAC name of 5,6-difluoro-2-nonyl-1H-benzimidazole (CID 65427108) is 5,6-difluoro-2-nonyl-1H-benzimidazole.
What is the SMILES notation for 5,6-difluoro-2-nonyl-1H-benzimidazole?
The canonical SMILES for 5,6-difluoro-2-nonyl-1H-benzimidazole is CCCCCCCCCc1nc2cc(F)c(F)cc2[nH]1.
What is the InChIKey of 5,6-difluoro-2-nonyl-1H-benzimidazole?
The InChIKey is HMQHXIWBQDZNKP-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F2N2/c1-2-3-4-5-6-7-8-9-16-19-14-10-12(17)13(18)11-15(14)20-16/h10-11H,2-9H2,1H3,(H,19,20).
What are the key properties of 5,6-difluoro-2-nonyl-1H-benzimidazole?
5,6-difluoro-2-nonyl-1H-benzimidazole has a molecular weight of 280.36 g/mol, XLogP of 5.13, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-difluoro-2-nonyl-1H-benzimidazole is sourced from PubChem (CID 65427108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).