3-[[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decane

C19H26N4O — CID 154820414

IUPAC3-[[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decane
SMILESCCc1ccc(-c2nccn2CC2CC3(CCNCC3)CO2)nc1
InChIInChI=1S/C19H26N4O/c1-2-15-3-4-17(22-12-15)18-21-9-10-23(18)13-16-11-19(14-24-16)5-7-20-8-6-19/h3-4,9-10,12,16,20H,2,5-8,11,13-14H2,1H3
InChIKeyBPPVTJYXLSYXPQ-UHFFFAOYSA-N
MW326.44 g/mol
LogP2.67
Rot. Bonds4

About 3-[[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decane

3-[[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decane (PubChem CID 154820414) has the molecular formula C19H26N4O and a molecular weight of 326.44 g/mol. Its IUPAC name is 3-[[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name3-[[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decane
PubChem CID154820414
Molecular FormulaC19H26N4O
Molecular Weight326.44 g/mol
Exact Mass326.21
IUPAC Name3-[[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decane
SMILESCCc1ccc(-c2nccn2CC2CC3(CCNCC3)CO2)nc1
InChIInChI=1S/C19H26N4O/c1-2-15-3-4-17(22-12-15)18-21-9-10-23(18)13-16-11-19(14-24-16)5-7-20-8-6-19/h3-4,9-10,12,16,20H,2,5-8,11,13-14H2,1H3
InChIKeyBPPVTJYXLSYXPQ-UHFFFAOYSA-N
XLogP2.67
TPSA51.97 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.44
LogP ≤ 52.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decane?
The IUPAC name of 3-[[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decane (CID 154820414) is 3-[[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 3-[[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decane?
The canonical SMILES for 3-[[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decane is CCc1ccc(-c2nccn2CC2CC3(CCNCC3)CO2)nc1.
What is the InChIKey of 3-[[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decane?
The InChIKey is BPPVTJYXLSYXPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O/c1-2-15-3-4-17(22-12-15)18-21-9-10-23(18)13-16-11-19(14-24-16)5-7-20-8-6-19/h3-4,9-10,12,16,20H,2,5-8,11,13-14H2,1H3.
What are the key properties of 3-[[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decane?
3-[[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decane has a molecular weight of 326.44 g/mol, XLogP of 2.67, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-(5-ethyl-2-pyridinyl)imidazol-1-yl]methyl]-2-oxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 154820414), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).