2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichloro-1H-benzimidazole

C13H12Cl2N2 — CID 82003889

IUPAC2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichloro-1H-benzimidazole
SMILESClc1cc2nc(C3CC4CC4C3)[nH]c2cc1Cl
InChIInChI=1S/C13H12Cl2N2/c14-9-4-11-12(5-10(9)15)17-13(16-11)8-2-6-1-7(6)3-8/h4-8H,1-3H2,(H,16,17)
InChIKeyKQXKTAAMNNJNIN-UHFFFAOYSA-N
MW267.16 g/mol
LogP4.38
Rot. Bonds1

About 2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichloro-1H-benzimidazole

2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichloro-1H-benzimidazole (PubChem CID 82003889) has the molecular formula C13H12Cl2N2 and a molecular weight of 267.16 g/mol. Its IUPAC name is 2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichloro-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichloro-1H-benzimidazole
PubChem CID82003889
Molecular FormulaC13H12Cl2N2
Molecular Weight267.16 g/mol
Exact Mass266.04
IUPAC Name2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichloro-1H-benzimidazole
SMILESClc1cc2nc(C3CC4CC4C3)[nH]c2cc1Cl
InChIInChI=1S/C13H12Cl2N2/c14-9-4-11-12(5-10(9)15)17-13(16-11)8-2-6-1-7(6)3-8/h4-8H,1-3H2,(H,16,17)
InChIKeyKQXKTAAMNNJNIN-UHFFFAOYSA-N
XLogP4.38
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.16
LogP ≤ 54.38
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)-5,6-dichloro-1H-benzimidazole?
The IUPAC name of 2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichloro-1H-benzimidazole (CID 82003889) is 2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichloro-1H-benzimidazole.
What is the SMILES notation for 2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichloro-1H-benzimidazole?
The canonical SMILES for 2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichloro-1H-benzimidazole is Clc1cc2nc(C3CC4CC4C3)[nH]c2cc1Cl.
What is the InChIKey of 2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichloro-1H-benzimidazole?
The InChIKey is KQXKTAAMNNJNIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12Cl2N2/c14-9-4-11-12(5-10(9)15)17-13(16-11)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)-5,6-dichloro-1H-benzimidazole?
2-(3-bicyclo[3.1.0]hexanyl)-5,6-dichloro-1H-benzimidazole has a molecular weight of 267.16 g/mol, XLogP of 4.38, 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)-5,6-dichloro-1H-benzimidazole is sourced from PubChem (CID 82003889), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).