2-(5-bromothiophen-3-yl)-4-fluoro-1H-benzimidazole

C11H6BrFN2S — CID 103859014

IUPAC2-(5-bromothiophen-3-yl)-4-fluoro-1H-benzimidazole
SMILESFc1cccc2[nH]c(-c3csc(Br)c3)nc12
InChIInChI=1S/C11H6BrFN2S/c12-9-4-6(5-16-9)11-14-8-3-1-2-7(13)10(8)15-11/h1-5H,(H,14,15)
InChIKeyFHFXVHLHPBREFJ-UHFFFAOYSA-N
MW297.15 g/mol
LogP4.19
Rot. Bonds1

About 2-(5-bromothiophen-3-yl)-4-fluoro-1H-benzimidazole

2-(5-bromothiophen-3-yl)-4-fluoro-1H-benzimidazole (PubChem CID 103859014) has the molecular formula C11H6BrFN2S and a molecular weight of 297.15 g/mol. Its IUPAC name is 2-(5-bromothiophen-3-yl)-4-fluoro-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-bromothiophen-3-yl)-4-fluoro-1H-benzimidazole
PubChem CID103859014
Molecular FormulaC11H6BrFN2S
Molecular Weight297.15 g/mol
Exact Mass295.94
IUPAC Name2-(5-bromothiophen-3-yl)-4-fluoro-1H-benzimidazole
SMILESFc1cccc2[nH]c(-c3csc(Br)c3)nc12
InChIInChI=1S/C11H6BrFN2S/c12-9-4-6(5-16-9)11-14-8-3-1-2-7(13)10(8)15-11/h1-5H,(H,14,15)
InChIKeyFHFXVHLHPBREFJ-UHFFFAOYSA-N
XLogP4.19
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.15
LogP ≤ 54.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

2-(3-bromo-4-fluorophenyl)-4-fluoro-1H-benzimidazole
CID 114020271
4-(4-fluoro-1H-benzimidazol-2-yl)-2-methylaniline
CID 60784143
4-fluoro-2-(4-methylphenyl)-1H-benzimidazole
CID 60979204
4-fluoro-2-thiophen-2-yl-1H-benzimidazole
CID 60978499
2-(3,5-dimethoxyphenyl)-4-fluoro-1H-benzimidazole
CID 60977992
6-bromo-2-(5-bromothiophen-3-yl)-1H-benzimidazol-4-amine
CID 107962405
2-chloro-5-(4-fluoro-1H-benzimidazol-2-yl)aniline
CID 54920023
2-(3-chloro-4-iodophenyl)-4-fluoro-1H-benzimidazole
CID 103222483
2-(2,3-difluorophenyl)-4-fluoro-1H-benzimidazole
CID 64723548
2-(1,5-dimethylpyrazol-3-yl)-4-fluoro-1H-benzimidazole
CID 137004324
4-fluoro-2-(2-fluoro-6-methoxyphenyl)-1H-benzimidazole
CID 65434615
5-(4-fluoro-1H-benzimidazol-2-yl)-1H-pyrazol-3-amine
CID 135995632

Frequently Asked Questions

What is the IUPAC name of 2-(5-bromothiophen-3-yl)-4-fluoro-1H-benzimidazole?
The IUPAC name of 2-(5-bromothiophen-3-yl)-4-fluoro-1H-benzimidazole (CID 103859014) is 2-(5-bromothiophen-3-yl)-4-fluoro-1H-benzimidazole.
What is the SMILES notation for 2-(5-bromothiophen-3-yl)-4-fluoro-1H-benzimidazole?
The canonical SMILES for 2-(5-bromothiophen-3-yl)-4-fluoro-1H-benzimidazole is Fc1cccc2[nH]c(-c3csc(Br)c3)nc12.
What is the InChIKey of 2-(5-bromothiophen-3-yl)-4-fluoro-1H-benzimidazole?
The InChIKey is FHFXVHLHPBREFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H6BrFN2S/c12-9-4-6(5-16-9)11-14-8-3-1-2-7(13)10(8)15-11/h1-5H,(H,14,15).
What are the key properties of 2-(5-bromothiophen-3-yl)-4-fluoro-1H-benzimidazole?
2-(5-bromothiophen-3-yl)-4-fluoro-1H-benzimidazole has a molecular weight of 297.15 g/mol, XLogP of 4.19, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-bromothiophen-3-yl)-4-fluoro-1H-benzimidazole is sourced from PubChem (CID 103859014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).