6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine

C14H19FN4 — CID 83125480

IUPAC6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine
SMILESNCCCCCCc1ncc(-c2ccc(F)cn2)[nH]1
InChIInChI=1S/C14H19FN4/c15-11-6-7-12(17-9-11)13-10-18-14(19-13)5-3-1-2-4-8-16/h6-7,9-10H,1-5,8,16H2,(H,18,19)
InChIKeyKVTGYZUEPWNLGS-UHFFFAOYSA-N
MW262.33 g/mol
LogP2.67
Rot. Bonds7

About 6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine

6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine (PubChem CID 83125480) has the molecular formula C14H19FN4 and a molecular weight of 262.33 g/mol. Its IUPAC name is 6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine.

Molecular Properties

Compound Name6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine
PubChem CID83125480
Molecular FormulaC14H19FN4
Molecular Weight262.33 g/mol
Exact Mass262.16
IUPAC Name6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine
SMILESNCCCCCCc1ncc(-c2ccc(F)cn2)[nH]1
InChIInChI=1S/C14H19FN4/c15-11-6-7-12(17-9-11)13-10-18-14(19-13)5-3-1-2-4-8-16/h6-7,9-10H,1-5,8,16H2,(H,18,19)
InChIKeyKVTGYZUEPWNLGS-UHFFFAOYSA-N
XLogP2.67
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.33
LogP ≤ 52.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine?
The IUPAC name of 6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine (CID 83125480) is 6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine.
What is the SMILES notation for 6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine?
The canonical SMILES for 6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine is NCCCCCCc1ncc(-c2ccc(F)cn2)[nH]1.
What is the InChIKey of 6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine?
The InChIKey is KVTGYZUEPWNLGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19FN4/c15-11-6-7-12(17-9-11)13-10-18-14(19-13)5-3-1-2-4-8-16/h6-7,9-10H,1-5,8,16H2,(H,18,19).
What are the key properties of 6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine?
6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine has a molecular weight of 262.33 g/mol, XLogP of 2.67, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]hexan-1-amine is sourced from PubChem (CID 83125480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).