2-(2-bromo-5-fluoro-4-pyridinyl)-1-methylbenzimidazole

C13H9BrFN3 — CID 86667087

IUPAC2-(2-bromo-5-fluoro-4-pyridinyl)-1-methylbenzimidazole
SMILESCn1c(-c2cc(Br)ncc2F)nc2ccccc21
InChIInChI=1S/C13H9BrFN3/c1-18-11-5-3-2-4-10(11)17-13(18)8-6-12(14)16-7-9(8)15/h2-7H,1H3
InChIKeyZARMIJDDCMDUBP-UHFFFAOYSA-N
MW306.14 g/mol
LogP3.54
Rot. Bonds1

About 2-(2-bromo-5-fluoro-4-pyridinyl)-1-methylbenzimidazole

2-(2-bromo-5-fluoro-4-pyridinyl)-1-methylbenzimidazole (PubChem CID 86667087) has the molecular formula C13H9BrFN3 and a molecular weight of 306.14 g/mol. Its IUPAC name is 2-(2-bromo-5-fluoro-4-pyridinyl)-1-methylbenzimidazole.

Molecular Properties

Compound Name2-(2-bromo-5-fluoro-4-pyridinyl)-1-methylbenzimidazole
PubChem CID86667087
Molecular FormulaC13H9BrFN3
Molecular Weight306.14 g/mol
Exact Mass305.00
IUPAC Name2-(2-bromo-5-fluoro-4-pyridinyl)-1-methylbenzimidazole
SMILESCn1c(-c2cc(Br)ncc2F)nc2ccccc21
InChIInChI=1S/C13H9BrFN3/c1-18-11-5-3-2-4-10(11)17-13(18)8-6-12(14)16-7-9(8)15/h2-7H,1H3
InChIKeyZARMIJDDCMDUBP-UHFFFAOYSA-N
XLogP3.54
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.14
LogP ≤ 53.54
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-(2-bromo-5-fluoro-4-pyridinyl)-1-methylbenzimidazole?
The IUPAC name of 2-(2-bromo-5-fluoro-4-pyridinyl)-1-methylbenzimidazole (CID 86667087) is 2-(2-bromo-5-fluoro-4-pyridinyl)-1-methylbenzimidazole.
What is the SMILES notation for 2-(2-bromo-5-fluoro-4-pyridinyl)-1-methylbenzimidazole?
The canonical SMILES for 2-(2-bromo-5-fluoro-4-pyridinyl)-1-methylbenzimidazole is Cn1c(-c2cc(Br)ncc2F)nc2ccccc21.
What is the InChIKey of 2-(2-bromo-5-fluoro-4-pyridinyl)-1-methylbenzimidazole?
The InChIKey is ZARMIJDDCMDUBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H9BrFN3/c1-18-11-5-3-2-4-10(11)17-13(18)8-6-12(14)16-7-9(8)15/h2-7H,1H3.
What are the key properties of 2-(2-bromo-5-fluoro-4-pyridinyl)-1-methylbenzimidazole?
2-(2-bromo-5-fluoro-4-pyridinyl)-1-methylbenzimidazole has a molecular weight of 306.14 g/mol, XLogP of 3.54, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-bromo-5-fluoro-4-pyridinyl)-1-methylbenzimidazole is sourced from PubChem (CID 86667087), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).