6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-nitro-1H-benzimidazole

C10H3ClF7N3O2 — CID 22908735

IUPAC6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-nitro-1H-benzimidazole
SMILESO=[N+]([O-])c1cc(Cl)cc2[nH]c(C(F)(F)C(F)(F)C(F)(F)F)nc12
InChIInChI=1S/C10H3ClF7N3O2/c11-3-1-4-6(5(2-3)21(22)23)20-7(19-4)8(12,13)9(14,15)10(16,17)18/h1-2H,(H,19,20)
InChIKeyOCJNAHVWDIILEL-UHFFFAOYSA-N
MW365.59 g/mol
LogP4.41
Rot. Bonds3

About 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-nitro-1H-benzimidazole

6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-nitro-1H-benzimidazole (PubChem CID 22908735) has the molecular formula C10H3ClF7N3O2 and a molecular weight of 365.59 g/mol. Its IUPAC name is 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-nitro-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-nitro-1H-benzimidazole
PubChem CID22908735
Molecular FormulaC10H3ClF7N3O2
Molecular Weight365.59 g/mol
Exact Mass364.98
IUPAC Name6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-nitro-1H-benzimidazole
SMILESO=[N+]([O-])c1cc(Cl)cc2[nH]c(C(F)(F)C(F)(F)C(F)(F)F)nc12
InChIInChI=1S/C10H3ClF7N3O2/c11-3-1-4-6(5(2-3)21(22)23)20-7(19-4)8(12,13)9(14,15)10(16,17)18/h1-2H,(H,19,20)
InChIKeyOCJNAHVWDIILEL-UHFFFAOYSA-N
XLogP4.41
TPSA71.82 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500365.59
LogP ≤ 54.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}, {'alert_name': 'Perfluorinated_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-nitro-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-nitro-1H-benzimidazole (CID 22908735) is 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-nitro-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-nitro-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-nitro-1H-benzimidazole is O=[N+]([O-])c1cc(Cl)cc2[nH]c(C(F)(F)C(F)(F)C(F)(F)F)nc12.
What is the InChIKey of 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-nitro-1H-benzimidazole?
The InChIKey is OCJNAHVWDIILEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H3ClF7N3O2/c11-3-1-4-6(5(2-3)21(22)23)20-7(19-4)8(12,13)9(14,15)10(16,17)18/h1-2H,(H,19,20).
What are the key properties of 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-nitro-1H-benzimidazole?
6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-nitro-1H-benzimidazole has a molecular weight of 365.59 g/mol, XLogP of 4.41, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(1,1,2,2,3,3,3-heptafluoropropyl)-4-nitro-1H-benzimidazole is sourced from PubChem (CID 22908735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).