2-(4-bromo-1-methylpyrazol-5-yl)-1H-benzimidazole

C11H9BrN4 — CID 3581418

IUPAC2-(4-bromo-1-methylpyrazol-5-yl)-1H-benzimidazole
SMILESCn1ncc(Br)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C11H9BrN4/c1-16-10(7(12)6-13-16)11-14-8-4-2-3-5-9(8)15-11/h2-6H,1H3,(H,14,15)
InChIKeyJTQCDSLANUWRCP-UHFFFAOYSA-N
MW277.12 g/mol
LogP2.73
Rot. Bonds1

About 2-(4-bromo-1-methylpyrazol-5-yl)-1H-benzimidazole

2-(4-bromo-1-methylpyrazol-5-yl)-1H-benzimidazole (PubChem CID 3581418) has the molecular formula C11H9BrN4 and a molecular weight of 277.12 g/mol. Its IUPAC name is 2-(4-bromo-1-methylpyrazol-5-yl)-1H-benzimidazole.

Molecular Properties

Compound Name2-(4-bromo-1-methylpyrazol-5-yl)-1H-benzimidazole
PubChem CID3581418
Molecular FormulaC11H9BrN4
Molecular Weight277.12 g/mol
Exact Mass276.00
IUPAC Name2-(4-bromo-1-methylpyrazol-5-yl)-1H-benzimidazole
SMILESCn1ncc(Br)c1-c1nc2ccccc2[nH]1
InChIInChI=1S/C11H9BrN4/c1-16-10(7(12)6-13-16)11-14-8-4-2-3-5-9(8)15-11/h2-6H,1H3,(H,14,15)
InChIKeyJTQCDSLANUWRCP-UHFFFAOYSA-N
XLogP2.73
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.12
LogP ≤ 52.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)-1H-benzimidazole?
The IUPAC name of 2-(4-bromo-1-methylpyrazol-5-yl)-1H-benzimidazole (CID 3581418) is 2-(4-bromo-1-methylpyrazol-5-yl)-1H-benzimidazole.
What is the SMILES notation for 2-(4-bromo-1-methylpyrazol-5-yl)-1H-benzimidazole?
The canonical SMILES for 2-(4-bromo-1-methylpyrazol-5-yl)-1H-benzimidazole is Cn1ncc(Br)c1-c1nc2ccccc2[nH]1.
What is the InChIKey of 2-(4-bromo-1-methylpyrazol-5-yl)-1H-benzimidazole?
The InChIKey is JTQCDSLANUWRCP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9BrN4/c1-16-10(7(12)6-13-16)11-14-8-4-2-3-5-9(8)15-11/h2-6H,1H3,(H,14,15).
What are the key properties of 2-(4-bromo-1-methylpyrazol-5-yl)-1H-benzimidazole?
2-(4-bromo-1-methylpyrazol-5-yl)-1H-benzimidazole has a molecular weight of 277.12 g/mol, XLogP of 2.73, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromo-1-methylpyrazol-5-yl)-1H-benzimidazole is sourced from PubChem (CID 3581418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).