5,6-dichloro-2H-benzimidazole

C7H4Cl2N2 — CID 67811505

IUPAC5,6-dichloro-2H-benzimidazole
SMILESClc1cc2c(cc1Cl)=NCN=2
InChIInChI=1S/C7H4Cl2N2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3H2
InChIKeyNVHSPAOMWKVTGS-UHFFFAOYSA-N
MW187.03 g/mol
LogP1.20
Rot. Bonds

About 5,6-dichloro-2H-benzimidazole

5,6-dichloro-2H-benzimidazole (PubChem CID 67811505) has the molecular formula C7H4Cl2N2 and a molecular weight of 187.03 g/mol. Its IUPAC name is 5,6-dichloro-2H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2H-benzimidazole
PubChem CID67811505
Molecular FormulaC7H4Cl2N2
Molecular Weight187.03 g/mol
Exact Mass185.98
IUPAC Name5,6-dichloro-2H-benzimidazole
SMILESClc1cc2c(cc1Cl)=NCN=2
InChIInChI=1S/C7H4Cl2N2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3H2
InChIKeyNVHSPAOMWKVTGS-UHFFFAOYSA-N
XLogP1.20
TPSA24.72 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500187.03
LogP ≤ 51.20
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2H-benzimidazole?
The IUPAC name of 5,6-dichloro-2H-benzimidazole (CID 67811505) is 5,6-dichloro-2H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2H-benzimidazole is Clc1cc2c(cc1Cl)=NCN=2.
What is the InChIKey of 5,6-dichloro-2H-benzimidazole?
The InChIKey is NVHSPAOMWKVTGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H4Cl2N2/c8-4-1-6-7(2-5(4)9)11-3-10-6/h1-2H,3H2.
What are the key properties of 5,6-dichloro-2H-benzimidazole?
5,6-dichloro-2H-benzimidazole has a molecular weight of 187.03 g/mol, XLogP of 1.20, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2H-benzimidazole is sourced from PubChem (CID 67811505), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).