3-[(3-benzylimidazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

C18H22N4O2 — CID 72923701

IUPAC3-[(3-benzylimidazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)CN1Cc1cncn1Cc1ccccc1
InChIInChI=1S/C18H22N4O2/c23-17-21(13-18(24-17)6-8-19-9-7-18)12-16-10-20-14-22(16)11-15-4-2-1-3-5-15/h1-5,10,14,19H,6-9,11-13H2
InChIKeyLHZXQDOWHIYONA-UHFFFAOYSA-N
MW326.40 g/mol
LogP2.01
Rot. Bonds4

About 3-[(3-benzylimidazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one

3-[(3-benzylimidazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (PubChem CID 72923701) has the molecular formula C18H22N4O2 and a molecular weight of 326.40 g/mol. Its IUPAC name is 3-[(3-benzylimidazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.

Molecular Properties

Compound Name3-[(3-benzylimidazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
PubChem CID72923701
Molecular FormulaC18H22N4O2
Molecular Weight326.40 g/mol
Exact Mass326.17
IUPAC Name3-[(3-benzylimidazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one
SMILESO=C1OC2(CCNCC2)CN1Cc1cncn1Cc1ccccc1
InChIInChI=1S/C18H22N4O2/c23-17-21(13-18(24-17)6-8-19-9-7-18)12-16-10-20-14-22(16)11-15-4-2-1-3-5-15/h1-5,10,14,19H,6-9,11-13H2
InChIKeyLHZXQDOWHIYONA-UHFFFAOYSA-N
XLogP2.01
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500326.40
LogP ≤ 52.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-[(3-benzylimidazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The IUPAC name of 3-[(3-benzylimidazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one (CID 72923701) is 3-[(3-benzylimidazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one.
What is the SMILES notation for 3-[(3-benzylimidazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The canonical SMILES for 3-[(3-benzylimidazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is O=C1OC2(CCNCC2)CN1Cc1cncn1Cc1ccccc1.
What is the InChIKey of 3-[(3-benzylimidazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
The InChIKey is LHZXQDOWHIYONA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N4O2/c23-17-21(13-18(24-17)6-8-19-9-7-18)12-16-10-20-14-22(16)11-15-4-2-1-3-5-15/h1-5,10,14,19H,6-9,11-13H2.
What are the key properties of 3-[(3-benzylimidazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one?
3-[(3-benzylimidazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one has a molecular weight of 326.40 g/mol, XLogP of 2.01, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(3-benzylimidazol-4-yl)methyl]-1-oxa-3,8-diazaspiro[4.5]decan-2-one is sourced from PubChem (CID 72923701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).