6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine

C15H20FIN4 — CID 66101974

IUPAC6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
SMILESCC(Cn1c(N)nc2cc(I)c(F)cc21)N1CCCCC1
InChIInChI=1S/C15H20FIN4/c1-10(20-5-3-2-4-6-20)9-21-14-7-11(16)12(17)8-13(14)19-15(21)18/h7-8,10H,2-6,9H2,1H3,(H2,18,19)
InChIKeyMRFAXFQPGFYYFS-UHFFFAOYSA-N
MW402.26 g/mol
LogP3.24
Rot. Bonds3

About 6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine

6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine (PubChem CID 66101974) has the molecular formula C15H20FIN4 and a molecular weight of 402.26 g/mol. Its IUPAC name is 6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine.

Molecular Properties

Compound Name6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
PubChem CID66101974
Molecular FormulaC15H20FIN4
Molecular Weight402.26 g/mol
Exact Mass402.07
IUPAC Name6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine
SMILESCC(Cn1c(N)nc2cc(I)c(F)cc21)N1CCCCC1
InChIInChI=1S/C15H20FIN4/c1-10(20-5-3-2-4-6-20)9-21-14-7-11(16)12(17)8-13(14)19-15(21)18/h7-8,10H,2-6,9H2,1H3,(H2,18,19)
InChIKeyMRFAXFQPGFYYFS-UHFFFAOYSA-N
XLogP3.24
TPSA47.08 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.26
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine?
The IUPAC name of 6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine (CID 66101974) is 6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine.
What is the SMILES notation for 6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine?
The canonical SMILES for 6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine is CC(Cn1c(N)nc2cc(I)c(F)cc21)N1CCCCC1.
What is the InChIKey of 6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine?
The InChIKey is MRFAXFQPGFYYFS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20FIN4/c1-10(20-5-3-2-4-6-20)9-21-14-7-11(16)12(17)8-13(14)19-15(21)18/h7-8,10H,2-6,9H2,1H3,(H2,18,19).
What are the key properties of 6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine?
6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine has a molecular weight of 402.26 g/mol, XLogP of 3.24, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-fluoro-5-iodo-1-(2-piperidin-1-ylpropyl)benzimidazol-2-amine is sourced from PubChem (CID 66101974), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).