5,6-dichloro-2-cyclopropyl-1H-benzimidazole

C10H8Cl2N2 — CID 39158426

IUPAC5,6-dichloro-2-cyclopropyl-1H-benzimidazole
SMILESClc1cc2nc(C3CC3)[nH]c2cc1Cl
InChIInChI=1S/C10H8Cl2N2/c11-6-3-8-9(4-7(6)12)14-10(13-8)5-1-2-5/h3-5H,1-2H2,(H,13,14)
InChIKeyLHUUWTZLUNLJFG-UHFFFAOYSA-N
MW227.09 g/mol
LogP3.75
Rot. Bonds1

About 5,6-dichloro-2-cyclopropyl-1H-benzimidazole

5,6-dichloro-2-cyclopropyl-1H-benzimidazole (PubChem CID 39158426) has the molecular formula C10H8Cl2N2 and a molecular weight of 227.09 g/mol. Its IUPAC name is 5,6-dichloro-2-cyclopropyl-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-cyclopropyl-1H-benzimidazole
PubChem CID39158426
Molecular FormulaC10H8Cl2N2
Molecular Weight227.09 g/mol
Exact Mass226.01
IUPAC Name5,6-dichloro-2-cyclopropyl-1H-benzimidazole
SMILESClc1cc2nc(C3CC3)[nH]c2cc1Cl
InChIInChI=1S/C10H8Cl2N2/c11-6-3-8-9(4-7(6)12)14-10(13-8)5-1-2-5/h3-5H,1-2H2,(H,13,14)
InChIKeyLHUUWTZLUNLJFG-UHFFFAOYSA-N
XLogP3.75
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500227.09
LogP ≤ 53.75
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-cyclopropyl-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-cyclopropyl-1H-benzimidazole (CID 39158426) is 5,6-dichloro-2-cyclopropyl-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-cyclopropyl-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-cyclopropyl-1H-benzimidazole is Clc1cc2nc(C3CC3)[nH]c2cc1Cl.
What is the InChIKey of 5,6-dichloro-2-cyclopropyl-1H-benzimidazole?
The InChIKey is LHUUWTZLUNLJFG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2N2/c11-6-3-8-9(4-7(6)12)14-10(13-8)5-1-2-5/h3-5H,1-2H2,(H,13,14).
What are the key properties of 5,6-dichloro-2-cyclopropyl-1H-benzimidazole?
5,6-dichloro-2-cyclopropyl-1H-benzimidazole has a molecular weight of 227.09 g/mol, XLogP of 3.75, 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-cyclopropyl-1H-benzimidazole is sourced from PubChem (CID 39158426), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).