5,6-dichloro-2-(2-chloro-3-pyridinyl)-1H-benzimidazole

C12H6Cl3N3 — CID 1472010

IUPAC5,6-dichloro-2-(2-chloro-3-pyridinyl)-1H-benzimidazole
SMILESClc1cc2nc(-c3cccnc3Cl)[nH]c2cc1Cl
InChIInChI=1S/C12H6Cl3N3/c13-7-4-9-10(5-8(7)14)18-12(17-9)6-2-1-3-16-11(6)15/h1-5H,(H,17,18)
InChIKeyJXPSPHGWFXMOCY-UHFFFAOYSA-N
MW298.56 g/mol
LogP4.59
Rot. Bonds1

About 5,6-dichloro-2-(2-chloro-3-pyridinyl)-1H-benzimidazole

5,6-dichloro-2-(2-chloro-3-pyridinyl)-1H-benzimidazole (PubChem CID 1472010) has the molecular formula C12H6Cl3N3 and a molecular weight of 298.56 g/mol. Its IUPAC name is 5,6-dichloro-2-(2-chloro-3-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name5,6-dichloro-2-(2-chloro-3-pyridinyl)-1H-benzimidazole
PubChem CID1472010
Molecular FormulaC12H6Cl3N3
Molecular Weight298.56 g/mol
Exact Mass296.96
IUPAC Name5,6-dichloro-2-(2-chloro-3-pyridinyl)-1H-benzimidazole
SMILESClc1cc2nc(-c3cccnc3Cl)[nH]c2cc1Cl
InChIInChI=1S/C12H6Cl3N3/c13-7-4-9-10(5-8(7)14)18-12(17-9)6-2-1-3-16-11(6)15/h1-5H,(H,17,18)
InChIKeyJXPSPHGWFXMOCY-UHFFFAOYSA-N
XLogP4.59
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.56
LogP ≤ 54.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 5,6-dichloro-2-(2-chloro-3-pyridinyl)-1H-benzimidazole?
The IUPAC name of 5,6-dichloro-2-(2-chloro-3-pyridinyl)-1H-benzimidazole (CID 1472010) is 5,6-dichloro-2-(2-chloro-3-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 5,6-dichloro-2-(2-chloro-3-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 5,6-dichloro-2-(2-chloro-3-pyridinyl)-1H-benzimidazole is Clc1cc2nc(-c3cccnc3Cl)[nH]c2cc1Cl.
What is the InChIKey of 5,6-dichloro-2-(2-chloro-3-pyridinyl)-1H-benzimidazole?
The InChIKey is JXPSPHGWFXMOCY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H6Cl3N3/c13-7-4-9-10(5-8(7)14)18-12(17-9)6-2-1-3-16-11(6)15/h1-5H,(H,17,18).
What are the key properties of 5,6-dichloro-2-(2-chloro-3-pyridinyl)-1H-benzimidazole?
5,6-dichloro-2-(2-chloro-3-pyridinyl)-1H-benzimidazole has a molecular weight of 298.56 g/mol, XLogP of 4.59, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dichloro-2-(2-chloro-3-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 1472010), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).