4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine

C14H11F2N3 — CID 54920355

IUPAC4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1Cc1ccccc1F
InChIInChI=1S/C14H11F2N3/c15-10-5-2-1-4-9(10)8-19-12-7-3-6-11(16)13(12)18-14(19)17/h1-7H,8H2,(H2,17,18)
InChIKeyIKVYGOKHWGVSDD-UHFFFAOYSA-N
MW259.26 g/mol
LogP2.94
Rot. Bonds2

About 4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine

4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine (PubChem CID 54920355) has the molecular formula C14H11F2N3 and a molecular weight of 259.26 g/mol. Its IUPAC name is 4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine.

Molecular Properties

Compound Name4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
PubChem CID54920355
Molecular FormulaC14H11F2N3
Molecular Weight259.26 g/mol
Exact Mass259.09
IUPAC Name4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1Cc1ccccc1F
InChIInChI=1S/C14H11F2N3/c15-10-5-2-1-4-9(10)8-19-12-7-3-6-11(16)13(12)18-14(19)17/h1-7H,8H2,(H2,17,18)
InChIKeyIKVYGOKHWGVSDD-UHFFFAOYSA-N
XLogP2.94
TPSA43.84 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.26
LogP ≤ 52.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine?
The IUPAC name of 4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine (CID 54920355) is 4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine.
What is the SMILES notation for 4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine?
The canonical SMILES for 4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine is Nc1nc2c(F)cccc2n1Cc1ccccc1F.
What is the InChIKey of 4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine?
The InChIKey is IKVYGOKHWGVSDD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H11F2N3/c15-10-5-2-1-4-9(10)8-19-12-7-3-6-11(16)13(12)18-14(19)17/h1-7H,8H2,(H2,17,18).
What are the key properties of 4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine?
4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine has a molecular weight of 259.26 g/mol, XLogP of 2.94, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-[(2-fluorophenyl)methyl]benzimidazol-2-amine is sourced from PubChem (CID 54920355), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).