5-chloro-2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole

C13H9Cl2N3 — CID 1473378

IUPAC5-chloro-2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole
SMILESCn1c(-c2ccc(Cl)nc2)nc2cc(Cl)ccc21
InChIInChI=1S/C13H9Cl2N3/c1-18-11-4-3-9(14)6-10(11)17-13(18)8-2-5-12(15)16-7-8/h2-7H,1H3
InChIKeyAAXBLNPDOJYRBX-UHFFFAOYSA-N
MW278.14 g/mol
LogP3.94
Rot. Bonds1

About 5-chloro-2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole

5-chloro-2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole (PubChem CID 1473378) has the molecular formula C13H9Cl2N3 and a molecular weight of 278.14 g/mol. Its IUPAC name is 5-chloro-2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole.

Molecular Properties

Compound Name5-chloro-2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole
PubChem CID1473378
Molecular FormulaC13H9Cl2N3
Molecular Weight278.14 g/mol
Exact Mass277.02
IUPAC Name5-chloro-2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole
SMILESCn1c(-c2ccc(Cl)nc2)nc2cc(Cl)ccc21
InChIInChI=1S/C13H9Cl2N3/c1-18-11-4-3-9(14)6-10(11)17-13(18)8-2-5-12(15)16-7-8/h2-7H,1H3
InChIKeyAAXBLNPDOJYRBX-UHFFFAOYSA-N
XLogP3.94
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.14
LogP ≤ 53.94
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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-chloro-2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole?
The IUPAC name of 5-chloro-2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole (CID 1473378) is 5-chloro-2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole.
What is the SMILES notation for 5-chloro-2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole?
The canonical SMILES for 5-chloro-2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole is Cn1c(-c2ccc(Cl)nc2)nc2cc(Cl)ccc21.
What is the InChIKey of 5-chloro-2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole?
The InChIKey is AAXBLNPDOJYRBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9Cl2N3/c1-18-11-4-3-9(14)6-10(11)17-13(18)8-2-5-12(15)16-7-8/h2-7H,1H3.
What are the key properties of 5-chloro-2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole?
5-chloro-2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole has a molecular weight of 278.14 g/mol, XLogP of 3.94, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole is sourced from PubChem (CID 1473378), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).