6-bromo-5-pyrazol-1-yl-1H-benzimidazole

C10H7BrN4 — CID 146591903

IUPAC6-bromo-5-pyrazol-1-yl-1H-benzimidazole
SMILESBrc1cc2[nH]cnc2cc1-n1cccn1
InChIInChI=1S/C10H7BrN4/c11-7-4-8-9(13-6-12-8)5-10(7)15-3-1-2-14-15/h1-6H,(H,12,13)
InChIKeyBJVMWAABYRUCDB-UHFFFAOYSA-N
MW263.10 g/mol
LogP2.51
Rot. Bonds1

About 6-bromo-5-pyrazol-1-yl-1H-benzimidazole

6-bromo-5-pyrazol-1-yl-1H-benzimidazole (PubChem CID 146591903) has the molecular formula C10H7BrN4 and a molecular weight of 263.10 g/mol. Its IUPAC name is 6-bromo-5-pyrazol-1-yl-1H-benzimidazole.

Molecular Properties

Compound Name6-bromo-5-pyrazol-1-yl-1H-benzimidazole
PubChem CID146591903
Molecular FormulaC10H7BrN4
Molecular Weight263.10 g/mol
Exact Mass261.99
IUPAC Name6-bromo-5-pyrazol-1-yl-1H-benzimidazole
SMILESBrc1cc2[nH]cnc2cc1-n1cccn1
InChIInChI=1S/C10H7BrN4/c11-7-4-8-9(13-6-12-8)5-10(7)15-3-1-2-14-15/h1-6H,(H,12,13)
InChIKeyBJVMWAABYRUCDB-UHFFFAOYSA-N
XLogP2.51
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.10
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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6-bromo-3H-benzimidazole-5-sulfonyl chloride
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3-(3-bromo-4-pyrazol-1-ylphenyl)propan-1-ol
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3-(3-bromo-4-pyrazol-1-ylphenyl)propanal
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1-[2,3,4-tri(pyrazol-1-yl)phenyl]pyrazole
CID 101467101
6-[[2-(4-bromophenyl)pyrrol-1-yl]methyl]-1H-benzimidazole
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N-[(4,5-dibromofuran-2-yl)methyl]-2-pyrazol-1-ylaniline
CID 62085905
1H-benzimidazole-5,6-dicarbonitrile
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2,3-di(pyrazol-1-yl)pyridine
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Frequently Asked Questions

What is the IUPAC name of 6-bromo-5-pyrazol-1-yl-1H-benzimidazole?
The IUPAC name of 6-bromo-5-pyrazol-1-yl-1H-benzimidazole (CID 146591903) is 6-bromo-5-pyrazol-1-yl-1H-benzimidazole.
What is the SMILES notation for 6-bromo-5-pyrazol-1-yl-1H-benzimidazole?
The canonical SMILES for 6-bromo-5-pyrazol-1-yl-1H-benzimidazole is Brc1cc2[nH]cnc2cc1-n1cccn1.
What is the InChIKey of 6-bromo-5-pyrazol-1-yl-1H-benzimidazole?
The InChIKey is BJVMWAABYRUCDB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7BrN4/c11-7-4-8-9(13-6-12-8)5-10(7)15-3-1-2-14-15/h1-6H,(H,12,13).
What are the key properties of 6-bromo-5-pyrazol-1-yl-1H-benzimidazole?
6-bromo-5-pyrazol-1-yl-1H-benzimidazole has a molecular weight of 263.10 g/mol, XLogP of 2.51, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-5-pyrazol-1-yl-1H-benzimidazole is sourced from PubChem (CID 146591903), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).