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

C13H6Cl2F2N2 — CID 78912108

IUPAC5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole
SMILESFc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(F)c1
InChIInChI=1S/C13H6Cl2F2N2/c14-8-4-11-12(5-9(8)15)19-13(18-11)7-2-1-6(16)3-10(7)17/h1-5H,(H,18,19)
InChIKeyNLXBNTGKPKPMNX-UHFFFAOYSA-N
MW299.11 g/mol
LogP4.81
Rot. Bonds1

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

5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole (PubChem CID 78912108) has the molecular formula C13H6Cl2F2N2 and a molecular weight of 299.11 g/mol. Its IUPAC name is 5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole
PubChem CID78912108
Molecular FormulaC13H6Cl2F2N2
Molecular Weight299.11 g/mol
Exact Mass297.99
IUPAC Name5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole
SMILESFc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(F)c1
InChIInChI=1S/C13H6Cl2F2N2/c14-8-4-11-12(5-9(8)15)19-13(18-11)7-2-1-6(16)3-10(7)17/h1-5H,(H,18,19)
InChIKeyNLXBNTGKPKPMNX-UHFFFAOYSA-N
XLogP4.81
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.11
LogP ≤ 54.81
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole (CID 78912108) is 5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole is Fc1ccc(-c2nc3cc(Cl)c(Cl)cc3[nH]2)c(F)c1.
What is the InChIKey of 5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole?
The InChIKey is NLXBNTGKPKPMNX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H6Cl2F2N2/c14-8-4-11-12(5-9(8)15)19-13(18-11)7-2-1-6(16)3-10(7)17/h1-5H,(H,18,19).
What are the key properties of 5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole?
5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole has a molecular weight of 299.11 g/mol, XLogP of 4.81, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(2,4-difluorophenyl)-1H-benzimidazole is sourced from PubChem (CID 78912108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).