2-(3-bicyclo[3.1.0]hexanyl)-4,6-difluoro-1H-benzimidazole

C13H12F2N2 — CID 81462663

IUPAC2-(3-bicyclo[3.1.0]hexanyl)-4,6-difluoro-1H-benzimidazole
SMILESFc1cc(F)c2nc(C3CC4CC4C3)[nH]c2c1
InChIInChI=1S/C13H12F2N2/c14-9-4-10(15)12-11(5-9)16-13(17-12)8-2-6-1-7(6)3-8/h4-8H,1-3H2,(H,16,17)
InChIKeyLYQDBEZLNXFVLB-UHFFFAOYSA-N
MW234.25 g/mol
LogP3.35
Rot. Bonds1

About 2-(3-bicyclo[3.1.0]hexanyl)-4,6-difluoro-1H-benzimidazole

2-(3-bicyclo[3.1.0]hexanyl)-4,6-difluoro-1H-benzimidazole (PubChem CID 81462663) has the molecular formula C13H12F2N2 and a molecular weight of 234.25 g/mol. Its IUPAC name is 2-(3-bicyclo[3.1.0]hexanyl)-4,6-difluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-bicyclo[3.1.0]hexanyl)-4,6-difluoro-1H-benzimidazole
PubChem CID81462663
Molecular FormulaC13H12F2N2
Molecular Weight234.25 g/mol
Exact Mass234.10
IUPAC Name2-(3-bicyclo[3.1.0]hexanyl)-4,6-difluoro-1H-benzimidazole
SMILESFc1cc(F)c2nc(C3CC4CC4C3)[nH]c2c1
InChIInChI=1S/C13H12F2N2/c14-9-4-10(15)12-11(5-9)16-13(17-12)8-2-6-1-7(6)3-8/h4-8H,1-3H2,(H,16,17)
InChIKeyLYQDBEZLNXFVLB-UHFFFAOYSA-N
XLogP3.35
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.25
LogP ≤ 53.35
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bicyclo[3.1.0]hexanyl)-4,6-difluoro-1H-benzimidazole?
The IUPAC name of 2-(3-bicyclo[3.1.0]hexanyl)-4,6-difluoro-1H-benzimidazole (CID 81462663) is 2-(3-bicyclo[3.1.0]hexanyl)-4,6-difluoro-1H-benzimidazole.
What is the SMILES notation for 2-(3-bicyclo[3.1.0]hexanyl)-4,6-difluoro-1H-benzimidazole?
The canonical SMILES for 2-(3-bicyclo[3.1.0]hexanyl)-4,6-difluoro-1H-benzimidazole is Fc1cc(F)c2nc(C3CC4CC4C3)[nH]c2c1.
What is the InChIKey of 2-(3-bicyclo[3.1.0]hexanyl)-4,6-difluoro-1H-benzimidazole?
The InChIKey is LYQDBEZLNXFVLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12F2N2/c14-9-4-10(15)12-11(5-9)16-13(17-12)8-2-6-1-7(6)3-8/h4-8H,1-3H2,(H,16,17).
What are the key properties of 2-(3-bicyclo[3.1.0]hexanyl)-4,6-difluoro-1H-benzimidazole?
2-(3-bicyclo[3.1.0]hexanyl)-4,6-difluoro-1H-benzimidazole has a molecular weight of 234.25 g/mol, XLogP of 3.35, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bicyclo[3.1.0]hexanyl)-4,6-difluoro-1H-benzimidazole is sourced from PubChem (CID 81462663), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).