2-(5-bromo-3-pyridinyl)-6,7-difluoro-1-methylbenzimidazole

C13H8BrF2N3 — CID 121458708

IUPAC2-(5-bromo-3-pyridinyl)-6,7-difluoro-1-methylbenzimidazole
SMILESCn1c(-c2cncc(Br)c2)nc2ccc(F)c(F)c21
InChIInChI=1S/C13H8BrF2N3/c1-19-12-10(3-2-9(15)11(12)16)18-13(19)7-4-8(14)6-17-5-7/h2-6H,1H3
InChIKeyYIAZNVOSLPFSDU-UHFFFAOYSA-N
MW324.13 g/mol
LogP3.68
Rot. Bonds1

About 2-(5-bromo-3-pyridinyl)-6,7-difluoro-1-methylbenzimidazole

2-(5-bromo-3-pyridinyl)-6,7-difluoro-1-methylbenzimidazole (PubChem CID 121458708) has the molecular formula C13H8BrF2N3 and a molecular weight of 324.13 g/mol. Its IUPAC name is 2-(5-bromo-3-pyridinyl)-6,7-difluoro-1-methylbenzimidazole.

Molecular Properties

Compound Name2-(5-bromo-3-pyridinyl)-6,7-difluoro-1-methylbenzimidazole
PubChem CID121458708
Molecular FormulaC13H8BrF2N3
Molecular Weight324.13 g/mol
Exact Mass322.99
IUPAC Name2-(5-bromo-3-pyridinyl)-6,7-difluoro-1-methylbenzimidazole
SMILESCn1c(-c2cncc(Br)c2)nc2ccc(F)c(F)c21
InChIInChI=1S/C13H8BrF2N3/c1-19-12-10(3-2-9(15)11(12)16)18-13(19)7-4-8(14)6-17-5-7/h2-6H,1H3
InChIKeyYIAZNVOSLPFSDU-UHFFFAOYSA-N
XLogP3.68
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500324.13
LogP ≤ 53.68
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(5-bromo-3-pyridinyl)-6,7-difluoro-1-methylbenzimidazole?
The IUPAC name of 2-(5-bromo-3-pyridinyl)-6,7-difluoro-1-methylbenzimidazole (CID 121458708) is 2-(5-bromo-3-pyridinyl)-6,7-difluoro-1-methylbenzimidazole.
What is the SMILES notation for 2-(5-bromo-3-pyridinyl)-6,7-difluoro-1-methylbenzimidazole?
The canonical SMILES for 2-(5-bromo-3-pyridinyl)-6,7-difluoro-1-methylbenzimidazole is Cn1c(-c2cncc(Br)c2)nc2ccc(F)c(F)c21.
What is the InChIKey of 2-(5-bromo-3-pyridinyl)-6,7-difluoro-1-methylbenzimidazole?
The InChIKey is YIAZNVOSLPFSDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H8BrF2N3/c1-19-12-10(3-2-9(15)11(12)16)18-13(19)7-4-8(14)6-17-5-7/h2-6H,1H3.
What are the key properties of 2-(5-bromo-3-pyridinyl)-6,7-difluoro-1-methylbenzimidazole?
2-(5-bromo-3-pyridinyl)-6,7-difluoro-1-methylbenzimidazole has a molecular weight of 324.13 g/mol, XLogP of 3.68, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromo-3-pyridinyl)-6,7-difluoro-1-methylbenzimidazole is sourced from PubChem (CID 121458708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).