6-(benzimidazol-1-yl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine

C19H20N4O — CID 167784315

IUPAC6-(benzimidazol-1-yl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine
SMILESc1cc(NC2CC23CCOCC3)nc(-n2cnc3ccccc32)c1
InChIInChI=1S/C19H20N4O/c1-2-5-15-14(4-1)20-13-23(15)18-7-3-6-17(22-18)21-16-12-19(16)8-10-24-11-9-19/h1-7,13,16H,8-12H2,(H,21,22)
InChIKeyRRGJUHVIMNSLBV-UHFFFAOYSA-N
MW320.40 g/mol
LogP3.40
Rot. Bonds3

About 6-(benzimidazol-1-yl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine

6-(benzimidazol-1-yl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine (PubChem CID 167784315) has the molecular formula C19H20N4O and a molecular weight of 320.40 g/mol. Its IUPAC name is 6-(benzimidazol-1-yl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine.

Molecular Properties

Compound Name6-(benzimidazol-1-yl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine
PubChem CID167784315
Molecular FormulaC19H20N4O
Molecular Weight320.40 g/mol
Exact Mass320.16
IUPAC Name6-(benzimidazol-1-yl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine
SMILESc1cc(NC2CC23CCOCC3)nc(-n2cnc3ccccc32)c1
InChIInChI=1S/C19H20N4O/c1-2-5-15-14(4-1)20-13-23(15)18-7-3-6-17(22-18)21-16-12-19(16)8-10-24-11-9-19/h1-7,13,16H,8-12H2,(H,21,22)
InChIKeyRRGJUHVIMNSLBV-UHFFFAOYSA-N
XLogP3.40
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.40
LogP ≤ 53.40
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-[6-(2,8-dioxaspiro[4.5]decan-3-ylmethyl)-2-pyridinyl]benzimidazole
CID 110097013
6-(benzimidazol-1-yl)-N-(2-pyridin-4-ylethyl)pyridin-2-amine
CID 129086038
3-[[6-(benzimidazol-1-yl)-2-pyridinyl]amino]-N,2,2-trimethylpropanamide
CID 154781024
tert-butyl (3S,4R)-3-[[6-(benzimidazol-1-yl)-2-pyridinyl]amino]-4-phenylpyrrolidine-1-carboxylate
CID 154810664
4-N-[4-(benzimidazol-1-yl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 146244080
1-(2-methylpyrimidin-4-yl)benzimidazole
CID 112695167
6-(benzimidazol-1-yl)-N-[(1S)-1,2,3,4-tetrahydronaphthalen-1-yl]pyrazin-2-amine
CID 141113733
6-(benzimidazol-1-yl)-N-methyl-N-pyrrolidin-3-ylpyridin-2-amine
CID 138991186
2-(benzimidazol-1-yl)-1,10-phenanthroline
CID 90688679
1-[5-chloro-2-(oxolan-3-yloxy)pyrimidin-4-yl]benzimidazole
CID 140903686
4-(benzimidazol-1-yl)-N-ethylpyrimidin-2-amine
CID 80854162
1-[2-(benzimidazol-1-yl)quinolin-8-yl]ethanone
CID 21020290

Frequently Asked Questions

What is the IUPAC name of 6-(benzimidazol-1-yl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine?
The IUPAC name of 6-(benzimidazol-1-yl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine (CID 167784315) is 6-(benzimidazol-1-yl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine.
What is the SMILES notation for 6-(benzimidazol-1-yl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine?
The canonical SMILES for 6-(benzimidazol-1-yl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine is c1cc(NC2CC23CCOCC3)nc(-n2cnc3ccccc32)c1.
What is the InChIKey of 6-(benzimidazol-1-yl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine?
The InChIKey is RRGJUHVIMNSLBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20N4O/c1-2-5-15-14(4-1)20-13-23(15)18-7-3-6-17(22-18)21-16-12-19(16)8-10-24-11-9-19/h1-7,13,16H,8-12H2,(H,21,22).
What are the key properties of 6-(benzimidazol-1-yl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine?
6-(benzimidazol-1-yl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine has a molecular weight of 320.40 g/mol, XLogP of 3.40, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(benzimidazol-1-yl)-N-(6-oxaspiro[2.5]octan-2-yl)pyridin-2-amine is sourced from PubChem (CID 167784315), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).