4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine

C12H15FN4 — CID 84796902

IUPAC4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1C1CCNCC1
InChIInChI=1S/C12H15FN4/c13-9-2-1-3-10-11(9)16-12(14)17(10)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2,(H2,14,16)
InChIKeyBWHRUZKTVUANDU-UHFFFAOYSA-N
MW234.28 g/mol
LogP1.68
Rot. Bonds1

About 4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine

4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine (PubChem CID 84796902) has the molecular formula C12H15FN4 and a molecular weight of 234.28 g/mol. Its IUPAC name is 4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine.

Molecular Properties

Compound Name4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine
PubChem CID84796902
Molecular FormulaC12H15FN4
Molecular Weight234.28 g/mol
Exact Mass234.13
IUPAC Name4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine
SMILESNc1nc2c(F)cccc2n1C1CCNCC1
InChIInChI=1S/C12H15FN4/c13-9-2-1-3-10-11(9)16-12(14)17(10)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2,(H2,14,16)
InChIKeyBWHRUZKTVUANDU-UHFFFAOYSA-N
XLogP1.68
TPSA55.87 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.28
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine?
The IUPAC name of 4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine (CID 84796902) is 4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine.
What is the SMILES notation for 4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine?
The canonical SMILES for 4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine is Nc1nc2c(F)cccc2n1C1CCNCC1.
What is the InChIKey of 4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine?
The InChIKey is BWHRUZKTVUANDU-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H15FN4/c13-9-2-1-3-10-11(9)16-12(14)17(10)8-4-6-15-7-5-8/h1-3,8,15H,4-7H2,(H2,14,16).
What are the key properties of 4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine?
4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine has a molecular weight of 234.28 g/mol, XLogP of 1.68, 1 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-fluoro-1-piperidin-4-ylbenzimidazol-2-amine is sourced from PubChem (CID 84796902), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).