2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole

C13H7BrF2N2 — CID 114020271

IUPAC2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole
SMILESFc1ccc(-c2nc3c(F)cccc3[nH]2)cc1Br
InChIInChI=1S/C13H7BrF2N2/c14-8-6-7(4-5-9(8)15)13-17-11-3-1-2-10(16)12(11)18-13/h1-6H,(H,17,18)
InChIKeyUDCHBJDTFUCMIU-UHFFFAOYSA-N
MW309.11 g/mol
LogP4.27
Rot. Bonds1

About 2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole

2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole (PubChem CID 114020271) has the molecular formula C13H7BrF2N2 and a molecular weight of 309.11 g/mol. Its IUPAC name is 2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole
PubChem CID114020271
Molecular FormulaC13H7BrF2N2
Molecular Weight309.11 g/mol
Exact Mass307.98
IUPAC Name2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole
SMILESFc1ccc(-c2nc3c(F)cccc3[nH]2)cc1Br
InChIInChI=1S/C13H7BrF2N2/c14-8-6-7(4-5-9(8)15)13-17-11-3-1-2-10(16)12(11)18-13/h1-6H,(H,17,18)
InChIKeyUDCHBJDTFUCMIU-UHFFFAOYSA-N
XLogP4.27
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.11
LogP ≤ 54.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole?
The IUPAC name of 2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole (CID 114020271) is 2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole?
The canonical SMILES for 2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole is Fc1ccc(-c2nc3c(F)cccc3[nH]2)cc1Br.
What is the InChIKey of 2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole?
The InChIKey is UDCHBJDTFUCMIU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H7BrF2N2/c14-8-6-7(4-5-9(8)15)13-17-11-3-1-2-10(16)12(11)18-13/h1-6H,(H,17,18).
What are the key properties of 2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole?
2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole has a molecular weight of 309.11 g/mol, XLogP of 4.27, 1 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole is sourced from PubChem (CID 114020271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).