6-chloro-2-(6-chloro-3-pyridinyl)-1H-benzimidazole

C12H7Cl2N3 — CID 1472024

IUPAC6-chloro-2-(6-chloro-3-pyridinyl)-1H-benzimidazole
SMILESClc1ccc2nc(-c3ccc(Cl)nc3)[nH]c2c1
InChIInChI=1S/C12H7Cl2N3/c13-8-2-3-9-10(5-8)17-12(16-9)7-1-4-11(14)15-6-7/h1-6H,(H,16,17)
InChIKeySIIKHDKPKYMOGJ-UHFFFAOYSA-N
MW264.12 g/mol
LogP3.93
Rot. Bonds1

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

6-chloro-2-(6-chloro-3-pyridinyl)-1H-benzimidazole (PubChem CID 1472024) has the molecular formula C12H7Cl2N3 and a molecular weight of 264.12 g/mol. Its IUPAC name is 6-chloro-2-(6-chloro-3-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-chloro-2-(6-chloro-3-pyridinyl)-1H-benzimidazole
PubChem CID1472024
Molecular FormulaC12H7Cl2N3
Molecular Weight264.12 g/mol
Exact Mass263.00
IUPAC Name6-chloro-2-(6-chloro-3-pyridinyl)-1H-benzimidazole
SMILESClc1ccc2nc(-c3ccc(Cl)nc3)[nH]c2c1
InChIInChI=1S/C12H7Cl2N3/c13-8-2-3-9-10(5-8)17-12(16-9)7-1-4-11(14)15-6-7/h1-6H,(H,16,17)
InChIKeySIIKHDKPKYMOGJ-UHFFFAOYSA-N
XLogP3.93
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.12
LogP ≤ 53.93
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 6-chloro-2-(6-chloro-3-pyridinyl)-1H-benzimidazole?
The IUPAC name of 6-chloro-2-(6-chloro-3-pyridinyl)-1H-benzimidazole (CID 1472024) is 6-chloro-2-(6-chloro-3-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 6-chloro-2-(6-chloro-3-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 6-chloro-2-(6-chloro-3-pyridinyl)-1H-benzimidazole is Clc1ccc2nc(-c3ccc(Cl)nc3)[nH]c2c1.
What is the InChIKey of 6-chloro-2-(6-chloro-3-pyridinyl)-1H-benzimidazole?
The InChIKey is SIIKHDKPKYMOGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7Cl2N3/c13-8-2-3-9-10(5-8)17-12(16-9)7-1-4-11(14)15-6-7/h1-6H,(H,16,17).
What are the key properties of 6-chloro-2-(6-chloro-3-pyridinyl)-1H-benzimidazole?
6-chloro-2-(6-chloro-3-pyridinyl)-1H-benzimidazole has a molecular weight of 264.12 g/mol, XLogP of 3.93, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(6-chloro-3-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 1472024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).