1-[[1-(2-fluorophenyl)triazol-4-yl]methyl]benzimidazole

C16H12FN5 — CID 122196144

IUPAC1-[[1-(2-fluorophenyl)triazol-4-yl]methyl]benzimidazole
SMILESFc1ccccc1-n1cc(Cn2cnc3ccccc32)nn1
InChIInChI=1S/C16H12FN5/c17-13-5-1-3-7-15(13)22-10-12(19-20-22)9-21-11-18-14-6-2-4-8-16(14)21/h1-8,10-11H,9H2
InChIKeyAABJDBIUWZVBBU-UHFFFAOYSA-N
MW293.31 g/mol
LogP2.80
Rot. Bonds3

About 1-[[1-(2-fluorophenyl)triazol-4-yl]methyl]benzimidazole

1-[[1-(2-fluorophenyl)triazol-4-yl]methyl]benzimidazole (PubChem CID 122196144) has the molecular formula C16H12FN5 and a molecular weight of 293.31 g/mol. Its IUPAC name is 1-[[1-(2-fluorophenyl)triazol-4-yl]methyl]benzimidazole.

Molecular Properties

Compound Name1-[[1-(2-fluorophenyl)triazol-4-yl]methyl]benzimidazole
PubChem CID122196144
Molecular FormulaC16H12FN5
Molecular Weight293.31 g/mol
Exact Mass293.11
IUPAC Name1-[[1-(2-fluorophenyl)triazol-4-yl]methyl]benzimidazole
SMILESFc1ccccc1-n1cc(Cn2cnc3ccccc32)nn1
InChIInChI=1S/C16H12FN5/c17-13-5-1-3-7-15(13)22-10-12(19-20-22)9-21-11-18-14-6-2-4-8-16(14)21/h1-8,10-11H,9H2
InChIKeyAABJDBIUWZVBBU-UHFFFAOYSA-N
XLogP2.80
TPSA48.53 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.31
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[1-(2-fluorophenyl)triazol-4-yl]methyl]benzimidazole?
The IUPAC name of 1-[[1-(2-fluorophenyl)triazol-4-yl]methyl]benzimidazole (CID 122196144) is 1-[[1-(2-fluorophenyl)triazol-4-yl]methyl]benzimidazole.
What is the SMILES notation for 1-[[1-(2-fluorophenyl)triazol-4-yl]methyl]benzimidazole?
The canonical SMILES for 1-[[1-(2-fluorophenyl)triazol-4-yl]methyl]benzimidazole is Fc1ccccc1-n1cc(Cn2cnc3ccccc32)nn1.
What is the InChIKey of 1-[[1-(2-fluorophenyl)triazol-4-yl]methyl]benzimidazole?
The InChIKey is AABJDBIUWZVBBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12FN5/c17-13-5-1-3-7-15(13)22-10-12(19-20-22)9-21-11-18-14-6-2-4-8-16(14)21/h1-8,10-11H,9H2.
What are the key properties of 1-[[1-(2-fluorophenyl)triazol-4-yl]methyl]benzimidazole?
1-[[1-(2-fluorophenyl)triazol-4-yl]methyl]benzimidazole has a molecular weight of 293.31 g/mol, XLogP of 2.80, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[1-(2-fluorophenyl)triazol-4-yl]methyl]benzimidazole is sourced from PubChem (CID 122196144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).