5-bromo-6-fluoro-2-(1-pyrazol-1-ylethyl)-1H-benzimidazole

C12H10BrFN4 — CID 114040709

IUPAC5-bromo-6-fluoro-2-(1-pyrazol-1-ylethyl)-1H-benzimidazole
SMILESCC(c1nc2cc(Br)c(F)cc2[nH]1)n1cccn1
InChIInChI=1S/C12H10BrFN4/c1-7(18-4-2-3-15-18)12-16-10-5-8(13)9(14)6-11(10)17-12/h2-7H,1H3,(H,16,17)
InChIKeyLHVHPSRHBRKOMW-UHFFFAOYSA-N
MW309.14 g/mol
LogP3.27
Rot. Bonds2

About 5-bromo-6-fluoro-2-(1-pyrazol-1-ylethyl)-1H-benzimidazole

5-bromo-6-fluoro-2-(1-pyrazol-1-ylethyl)-1H-benzimidazole (PubChem CID 114040709) has the molecular formula C12H10BrFN4 and a molecular weight of 309.14 g/mol. Its IUPAC name is 5-bromo-6-fluoro-2-(1-pyrazol-1-ylethyl)-1H-benzimidazole.

Molecular Properties

Compound Name5-bromo-6-fluoro-2-(1-pyrazol-1-ylethyl)-1H-benzimidazole
PubChem CID114040709
Molecular FormulaC12H10BrFN4
Molecular Weight309.14 g/mol
Exact Mass308.01
IUPAC Name5-bromo-6-fluoro-2-(1-pyrazol-1-ylethyl)-1H-benzimidazole
SMILESCC(c1nc2cc(Br)c(F)cc2[nH]1)n1cccn1
InChIInChI=1S/C12H10BrFN4/c1-7(18-4-2-3-15-18)12-16-10-5-8(13)9(14)6-11(10)17-12/h2-7H,1H3,(H,16,17)
InChIKeyLHVHPSRHBRKOMW-UHFFFAOYSA-N
XLogP3.27
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.14
LogP ≤ 53.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-bromo-2-butan-2-yl-6-fluoro-1H-benzimidazole
CID 79630380
1-(5-bromo-6-fluoro-1H-benzimidazol-2-yl)-2-cyclopropylethanamine
CID 112735044
N-[(5-bromo-6-fluoro-1H-benzimidazol-2-yl)methyl]propan-2-amine
CID 79630921
[2-(1-pyrazol-1-ylethyl)-1H-benzimidazol-4-yl]methanamine
CID 114040741
5-bromo-6-fluoro-2-(1,1,2,2,2-pentafluoroethyl)-1H-benzimidazole
CID 79631784
5-bromo-6-fluoro-2-phenyl-1H-benzimidazole
CID 79631220
6-fluoro-5-methylsulfanyl-2-pyrazol-1-yl-1H-benzimidazole
CID 141252349
5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 107519609
5-bromo-6-fluoro-2-(methoxymethyl)-1H-benzimidazole
CID 79631603
5-bromo-6-fluoro-2-(2,4,6-trimethylphenyl)-1H-benzimidazole
CID 79631045
5-bromo-2-(2-bromo-3-methylphenyl)-6-fluoro-1H-benzimidazole
CID 107983011
5-bromo-6-fluoro-2-octyl-1H-benzimidazole
CID 79631418

Frequently Asked Questions

What is the IUPAC name of 5-bromo-6-fluoro-2-(1-pyrazol-1-ylethyl)-1H-benzimidazole?
The IUPAC name of 5-bromo-6-fluoro-2-(1-pyrazol-1-ylethyl)-1H-benzimidazole (CID 114040709) is 5-bromo-6-fluoro-2-(1-pyrazol-1-ylethyl)-1H-benzimidazole.
What is the SMILES notation for 5-bromo-6-fluoro-2-(1-pyrazol-1-ylethyl)-1H-benzimidazole?
The canonical SMILES for 5-bromo-6-fluoro-2-(1-pyrazol-1-ylethyl)-1H-benzimidazole is CC(c1nc2cc(Br)c(F)cc2[nH]1)n1cccn1.
What is the InChIKey of 5-bromo-6-fluoro-2-(1-pyrazol-1-ylethyl)-1H-benzimidazole?
The InChIKey is LHVHPSRHBRKOMW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H10BrFN4/c1-7(18-4-2-3-15-18)12-16-10-5-8(13)9(14)6-11(10)17-12/h2-7H,1H3,(H,16,17).
What are the key properties of 5-bromo-6-fluoro-2-(1-pyrazol-1-ylethyl)-1H-benzimidazole?
5-bromo-6-fluoro-2-(1-pyrazol-1-ylethyl)-1H-benzimidazole has a molecular weight of 309.14 g/mol, XLogP of 3.27, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-6-fluoro-2-(1-pyrazol-1-ylethyl)-1H-benzimidazole is sourced from PubChem (CID 114040709), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).