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

C13H10ClN3 — CID 1472006

IUPAC2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole
SMILESCn1c(-c2ccc(Cl)nc2)nc2ccccc21
InChIInChI=1S/C13H10ClN3/c1-17-11-5-3-2-4-10(11)16-13(17)9-6-7-12(14)15-8-9/h2-8H,1H3
InChIKeyFTFAWFBGDDRKGF-UHFFFAOYSA-N
MW243.70 g/mol
LogP3.29
Rot. Bonds1

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

2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole (PubChem CID 1472006) has the molecular formula C13H10ClN3 and a molecular weight of 243.70 g/mol. Its IUPAC name is 2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole.

Molecular Properties

Compound Name2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole
PubChem CID1472006
Molecular FormulaC13H10ClN3
Molecular Weight243.70 g/mol
Exact Mass243.06
IUPAC Name2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole
SMILESCn1c(-c2ccc(Cl)nc2)nc2ccccc21
InChIInChI=1S/C13H10ClN3/c1-17-11-5-3-2-4-10(11)16-13(17)9-6-7-12(14)15-8-9/h2-8H,1H3
InChIKeyFTFAWFBGDDRKGF-UHFFFAOYSA-N
XLogP3.29
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500243.70
LogP ≤ 53.29
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 2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole?
The IUPAC name of 2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole (CID 1472006) is 2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole.
What is the SMILES notation for 2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole?
The canonical SMILES for 2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole is Cn1c(-c2ccc(Cl)nc2)nc2ccccc21.
What is the InChIKey of 2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole?
The InChIKey is FTFAWFBGDDRKGF-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H10ClN3/c1-17-11-5-3-2-4-10(11)16-13(17)9-6-7-12(14)15-8-9/h2-8H,1H3.
What are the key properties of 2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole?
2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole has a molecular weight of 243.70 g/mol, XLogP of 3.29, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(6-chloro-3-pyridinyl)-1-methylbenzimidazole is sourced from PubChem (CID 1472006), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).