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

C12H8ClN3 — CID 1488390

IUPAC2-(6-chloro-3-pyridinyl)-1H-benzimidazole
SMILESClc1ccc(-c2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C12H8ClN3/c13-11-6-5-8(7-14-11)12-15-9-3-1-2-4-10(9)16-12/h1-7H,(H,15,16)
InChIKeyYCANYPPCSFCTEN-UHFFFAOYSA-N
MW229.67 g/mol
LogP3.28
Rot. Bonds1

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

2-(6-chloro-3-pyridinyl)-1H-benzimidazole (PubChem CID 1488390) has the molecular formula C12H8ClN3 and a molecular weight of 229.67 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-1H-benzimidazole
PubChem CID1488390
Molecular FormulaC12H8ClN3
Molecular Weight229.67 g/mol
Exact Mass229.04
IUPAC Name2-(6-chloro-3-pyridinyl)-1H-benzimidazole
SMILESClc1ccc(-c2nc3ccccc3[nH]2)cn1
InChIInChI=1S/C12H8ClN3/c13-11-6-5-8(7-14-11)12-15-9-3-1-2-4-10(9)16-12/h1-7H,(H,15,16)
InChIKeyYCANYPPCSFCTEN-UHFFFAOYSA-N
XLogP3.28
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.67
LogP ≤ 53.28
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 2-(6-chloro-3-pyridinyl)-1H-benzimidazole?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-1H-benzimidazole (CID 1488390) is 2-(6-chloro-3-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-1H-benzimidazole is Clc1ccc(-c2nc3ccccc3[nH]2)cn1.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-1H-benzimidazole?
The InChIKey is YCANYPPCSFCTEN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H8ClN3/c13-11-6-5-8(7-14-11)12-15-9-3-1-2-4-10(9)16-12/h1-7H,(H,15,16).
What are the key properties of 2-(6-chloro-3-pyridinyl)-1H-benzimidazole?
2-(6-chloro-3-pyridinyl)-1H-benzimidazole has a molecular weight of 229.67 g/mol, XLogP of 3.28, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 1488390), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).