6-fluoro-2-(1,2,4-triazol-1-ylmethyl)-1H-benzimidazole

C10H8FN5 — CID 3652004

IUPAC6-fluoro-2-(1,2,4-triazol-1-ylmethyl)-1H-benzimidazole
SMILESFc1ccc2nc(Cn3cncn3)[nH]c2c1
InChIInChI=1S/C10H8FN5/c11-7-1-2-8-9(3-7)15-10(14-8)4-16-6-12-5-13-16/h1-3,5-6H,4H2,(H,14,15)
InChIKeyPZFMICVTXGSQCF-UHFFFAOYSA-N
MW217.21 g/mol
LogP1.34
Rot. Bonds2

About 6-fluoro-2-(1,2,4-triazol-1-ylmethyl)-1H-benzimidazole

6-fluoro-2-(1,2,4-triazol-1-ylmethyl)-1H-benzimidazole (PubChem CID 3652004) has the molecular formula C10H8FN5 and a molecular weight of 217.21 g/mol. Its IUPAC name is 6-fluoro-2-(1,2,4-triazol-1-ylmethyl)-1H-benzimidazole.

Molecular Properties

Compound Name6-fluoro-2-(1,2,4-triazol-1-ylmethyl)-1H-benzimidazole
PubChem CID3652004
Molecular FormulaC10H8FN5
Molecular Weight217.21 g/mol
Exact Mass217.08
IUPAC Name6-fluoro-2-(1,2,4-triazol-1-ylmethyl)-1H-benzimidazole
SMILESFc1ccc2nc(Cn3cncn3)[nH]c2c1
InChIInChI=1S/C10H8FN5/c11-7-1-2-8-9(3-7)15-10(14-8)4-16-6-12-5-13-16/h1-3,5-6H,4H2,(H,14,15)
InChIKeyPZFMICVTXGSQCF-UHFFFAOYSA-N
XLogP1.34
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.21
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-2-(1,2,4-triazol-1-ylmethyl)-1H-benzimidazole?
The IUPAC name of 6-fluoro-2-(1,2,4-triazol-1-ylmethyl)-1H-benzimidazole (CID 3652004) is 6-fluoro-2-(1,2,4-triazol-1-ylmethyl)-1H-benzimidazole.
What is the SMILES notation for 6-fluoro-2-(1,2,4-triazol-1-ylmethyl)-1H-benzimidazole?
The canonical SMILES for 6-fluoro-2-(1,2,4-triazol-1-ylmethyl)-1H-benzimidazole is Fc1ccc2nc(Cn3cncn3)[nH]c2c1.
What is the InChIKey of 6-fluoro-2-(1,2,4-triazol-1-ylmethyl)-1H-benzimidazole?
The InChIKey is PZFMICVTXGSQCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8FN5/c11-7-1-2-8-9(3-7)15-10(14-8)4-16-6-12-5-13-16/h1-3,5-6H,4H2,(H,14,15).
What are the key properties of 6-fluoro-2-(1,2,4-triazol-1-ylmethyl)-1H-benzimidazole?
6-fluoro-2-(1,2,4-triazol-1-ylmethyl)-1H-benzimidazole has a molecular weight of 217.21 g/mol, XLogP of 1.34, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-2-(1,2,4-triazol-1-ylmethyl)-1H-benzimidazole is sourced from PubChem (CID 3652004), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).