1-(6-fluoro-1H-benzimidazol-2-yl)-1,4-diazaspiro[5.5]undecane

C16H21FN4 — CID 103295284

IUPAC1-(6-fluoro-1H-benzimidazol-2-yl)-1,4-diazaspiro[5.5]undecane
SMILESFc1ccc2nc(N3CCNCC34CCCCC4)[nH]c2c1
InChIInChI=1S/C16H21FN4/c17-12-4-5-13-14(10-12)20-15(19-13)21-9-8-18-11-16(21)6-2-1-3-7-16/h4-5,10,18H,1-3,6-9,11H2,(H,19,20)
InChIKeyQJRDFVVVGKXWLB-UHFFFAOYSA-N
MW288.37 g/mol
LogP2.81
Rot. Bonds1

About 1-(6-fluoro-1H-benzimidazol-2-yl)-1,4-diazaspiro[5.5]undecane

1-(6-fluoro-1H-benzimidazol-2-yl)-1,4-diazaspiro[5.5]undecane (PubChem CID 103295284) has the molecular formula C16H21FN4 and a molecular weight of 288.37 g/mol. Its IUPAC name is 1-(6-fluoro-1H-benzimidazol-2-yl)-1,4-diazaspiro[5.5]undecane.

Molecular Properties

Compound Name1-(6-fluoro-1H-benzimidazol-2-yl)-1,4-diazaspiro[5.5]undecane
PubChem CID103295284
Molecular FormulaC16H21FN4
Molecular Weight288.37 g/mol
Exact Mass288.18
IUPAC Name1-(6-fluoro-1H-benzimidazol-2-yl)-1,4-diazaspiro[5.5]undecane
SMILESFc1ccc2nc(N3CCNCC34CCCCC4)[nH]c2c1
InChIInChI=1S/C16H21FN4/c17-12-4-5-13-14(10-12)20-15(19-13)21-9-8-18-11-16(21)6-2-1-3-7-16/h4-5,10,18H,1-3,6-9,11H2,(H,19,20)
InChIKeyQJRDFVVVGKXWLB-UHFFFAOYSA-N
XLogP2.81
TPSA43.95 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.37
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-(6-fluoro-1H-benzimidazol-2-yl)-1,4-diazaspiro[5.5]undecane?
The IUPAC name of 1-(6-fluoro-1H-benzimidazol-2-yl)-1,4-diazaspiro[5.5]undecane (CID 103295284) is 1-(6-fluoro-1H-benzimidazol-2-yl)-1,4-diazaspiro[5.5]undecane.
What is the SMILES notation for 1-(6-fluoro-1H-benzimidazol-2-yl)-1,4-diazaspiro[5.5]undecane?
The canonical SMILES for 1-(6-fluoro-1H-benzimidazol-2-yl)-1,4-diazaspiro[5.5]undecane is Fc1ccc2nc(N3CCNCC34CCCCC4)[nH]c2c1.
What is the InChIKey of 1-(6-fluoro-1H-benzimidazol-2-yl)-1,4-diazaspiro[5.5]undecane?
The InChIKey is QJRDFVVVGKXWLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H21FN4/c17-12-4-5-13-14(10-12)20-15(19-13)21-9-8-18-11-16(21)6-2-1-3-7-16/h4-5,10,18H,1-3,6-9,11H2,(H,19,20).
What are the key properties of 1-(6-fluoro-1H-benzimidazol-2-yl)-1,4-diazaspiro[5.5]undecane?
1-(6-fluoro-1H-benzimidazol-2-yl)-1,4-diazaspiro[5.5]undecane has a molecular weight of 288.37 g/mol, XLogP of 2.81, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-fluoro-1H-benzimidazol-2-yl)-1,4-diazaspiro[5.5]undecane is sourced from PubChem (CID 103295284), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).