2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole

C16H11FN4 — CID 168553559

IUPAC2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole
SMILESFc1ccc(-n2cccn2)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H11FN4/c17-11-6-7-15(21-9-3-8-18-21)12(10-11)16-19-13-4-1-2-5-14(13)20-16/h1-10H,(H,19,20)
InChIKeyZJSYZLSUHUVJBK-UHFFFAOYSA-N
MW278.29 g/mol
LogP3.55
Rot. Bonds2

About 2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole

2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole (PubChem CID 168553559) has the molecular formula C16H11FN4 and a molecular weight of 278.29 g/mol. Its IUPAC name is 2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole
PubChem CID168553559
Molecular FormulaC16H11FN4
Molecular Weight278.29 g/mol
Exact Mass278.10
IUPAC Name2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole
SMILESFc1ccc(-n2cccn2)c(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C16H11FN4/c17-11-6-7-15(21-9-3-8-18-21)12(10-11)16-19-13-4-1-2-5-14(13)20-16/h1-10H,(H,19,20)
InChIKeyZJSYZLSUHUVJBK-UHFFFAOYSA-N
XLogP3.55
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.29
LogP ≤ 53.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-difluorophenyl)-1H-benzimidazole
CID 43348986
[2-(1H-benzimidazol-2-yl)-5-fluorophenyl]-trifluoroboranuide
CID 168555826
3-(1H-benzimidazol-2-yl)-5-fluoro-1H-indazole
CID 135820247
2-pyrazol-1-yl-1H-benzimidazole
CID 639420
2-[1-[(5-fluoro-2-pyrazol-1-ylphenyl)methyl]piperidin-3-yl]-1H-benzimidazole
CID 131927341
1-(2-chloro-4-fluorophenyl)pyrazole
CID 91212691
3-(1H-benzimidazol-2-yl)-6-fluoroquinolin-4-amine
CID 68765479
2-(2-pyrazol-1-ylphenyl)-3H-quinazolin-4-one
CID 168553065
bis(2-(1H-benzimidazol-2-yl)phenolate);cobalt(2+)
CID 139068471
copper bis(2-(1H-benzimidazol-2-yl)phenolate)
CID 134105250
2-[2-[(2,4-difluorophenyl)methoxy]-4-fluorophenyl]-1H-benzimidazole
CID 168553877
4-fluoro-2-pyrazol-1-ylbenzonitrile
CID 21069916

Frequently Asked Questions

What is the IUPAC name of 2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole?
The IUPAC name of 2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole (CID 168553559) is 2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole.
What is the SMILES notation for 2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole?
The canonical SMILES for 2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole is Fc1ccc(-n2cccn2)c(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole?
The InChIKey is ZJSYZLSUHUVJBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H11FN4/c17-11-6-7-15(21-9-3-8-18-21)12(10-11)16-19-13-4-1-2-5-14(13)20-16/h1-10H,(H,19,20).
What are the key properties of 2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole?
2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole has a molecular weight of 278.29 g/mol, XLogP of 3.55, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-fluoro-2-pyrazol-1-ylphenyl)-1H-benzimidazole is sourced from PubChem (CID 168553559), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).