2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole

C13H5ClF4N2 — CID 82772918

IUPAC2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole
SMILESFc1cc2nc(-c3cc(F)c(Cl)cc3F)[nH]c2cc1F
InChIInChI=1S/C13H5ClF4N2/c14-6-2-7(15)5(1-8(6)16)13-19-11-3-9(17)10(18)4-12(11)20-13/h1-4H,(H,19,20)
InChIKeyUXXVSUPSJBKHSA-UHFFFAOYSA-N
MW300.64 g/mol
LogP4.44
Rot. Bonds1

About 2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole

2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole (PubChem CID 82772918) has the molecular formula C13H5ClF4N2 and a molecular weight of 300.64 g/mol. Its IUPAC name is 2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole
PubChem CID82772918
Molecular FormulaC13H5ClF4N2
Molecular Weight300.64 g/mol
Exact Mass300.01
IUPAC Name2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole
SMILESFc1cc2nc(-c3cc(F)c(Cl)cc3F)[nH]c2cc1F
InChIInChI=1S/C13H5ClF4N2/c14-6-2-7(15)5(1-8(6)16)13-19-11-3-9(17)10(18)4-12(11)20-13/h1-4H,(H,19,20)
InChIKeyUXXVSUPSJBKHSA-UHFFFAOYSA-N
XLogP4.44
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.64
LogP ≤ 54.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole (CID 82772918) is 2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole is Fc1cc2nc(-c3cc(F)c(Cl)cc3F)[nH]c2cc1F.
What is the InChIKey of 2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole?
The InChIKey is UXXVSUPSJBKHSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H5ClF4N2/c14-6-2-7(15)5(1-8(6)16)13-19-11-3-9(17)10(18)4-12(11)20-13/h1-4H,(H,19,20).
What are the key properties of 2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole?
2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole has a molecular weight of 300.64 g/mol, XLogP of 4.44, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2,5-difluorophenyl)-5,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 82772918), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).