6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole

C11H9FN4 — CID 60980673

IUPAC6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole
SMILESCn1cc(-c2nc3ccc(F)cc3[nH]2)cn1
InChIInChI=1S/C11H9FN4/c1-16-6-7(5-13-16)11-14-9-3-2-8(12)4-10(9)15-11/h2-6H,1H3,(H,14,15)
InChIKeyRZCIJNKKFSHTIX-UHFFFAOYSA-N
MW216.22 g/mol
LogP2.10
Rot. Bonds1

About 6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole

6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole (PubChem CID 60980673) has the molecular formula C11H9FN4 and a molecular weight of 216.22 g/mol. Its IUPAC name is 6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole
PubChem CID60980673
Molecular FormulaC11H9FN4
Molecular Weight216.22 g/mol
Exact Mass216.08
IUPAC Name6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole
SMILESCn1cc(-c2nc3ccc(F)cc3[nH]2)cn1
InChIInChI=1S/C11H9FN4/c1-16-6-7(5-13-16)11-14-9-3-2-8(12)4-10(9)15-11/h2-6H,1H3,(H,14,15)
InChIKeyRZCIJNKKFSHTIX-UHFFFAOYSA-N
XLogP2.10
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500216.22
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole (CID 60980673) is 6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole is Cn1cc(-c2nc3ccc(F)cc3[nH]2)cn1.
What is the InChIKey of 6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole?
The InChIKey is RZCIJNKKFSHTIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H9FN4/c1-16-6-7(5-13-16)11-14-9-3-2-8(12)4-10(9)15-11/h2-6H,1H3,(H,14,15).
What are the key properties of 6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole?
6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole has a molecular weight of 216.22 g/mol, XLogP of 2.10, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(1-methylpyrazol-4-yl)-1H-benzimidazole is sourced from PubChem (CID 60980673), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).