2-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]azepane

C14H17FN4 — CID 83124606

IUPAC2-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]azepane
SMILESFc1ccc(-c2cnc(C3CCCCCN3)[nH]2)nc1
InChIInChI=1S/C14H17FN4/c15-10-5-6-11(17-8-10)13-9-18-14(19-13)12-4-2-1-3-7-16-12/h5-6,8-9,12,16H,1-4,7H2,(H,18,19)
InChIKeyILSWCNNUJSRIET-UHFFFAOYSA-N
MW260.32 g/mol
LogP2.82
Rot. Bonds2

About 2-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]azepane

2-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]azepane (PubChem CID 83124606) has the molecular formula C14H17FN4 and a molecular weight of 260.32 g/mol. Its IUPAC name is 2-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]azepane.

Molecular Properties

Compound Name2-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]azepane
PubChem CID83124606
Molecular FormulaC14H17FN4
Molecular Weight260.32 g/mol
Exact Mass260.14
IUPAC Name2-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]azepane
SMILESFc1ccc(-c2cnc(C3CCCCCN3)[nH]2)nc1
InChIInChI=1S/C14H17FN4/c15-10-5-6-11(17-8-10)13-9-18-14(19-13)12-4-2-1-3-7-16-12/h5-6,8-9,12,16H,1-4,7H2,(H,18,19)
InChIKeyILSWCNNUJSRIET-UHFFFAOYSA-N
XLogP2.82
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 52.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]azepane?
The IUPAC name of 2-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]azepane (CID 83124606) is 2-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]azepane.
What is the SMILES notation for 2-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]azepane?
The canonical SMILES for 2-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]azepane is Fc1ccc(-c2cnc(C3CCCCCN3)[nH]2)nc1.
What is the InChIKey of 2-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]azepane?
The InChIKey is ILSWCNNUJSRIET-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17FN4/c15-10-5-6-11(17-8-10)13-9-18-14(19-13)12-4-2-1-3-7-16-12/h5-6,8-9,12,16H,1-4,7H2,(H,18,19).
What are the key properties of 2-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]azepane?
2-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]azepane has a molecular weight of 260.32 g/mol, XLogP of 2.82, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-(5-fluoro-2-pyridinyl)-1H-imidazol-2-yl]azepane is sourced from PubChem (CID 83124606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).