8-[(5-bromo-1H-imidazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

C11H16BrN3O2 — CID 154766600

IUPAC8-[(5-bromo-1H-imidazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESBrc1cnc(CN2CCC3(CC2)OCCO3)[nH]1
InChIInChI=1S/C11H16BrN3O2/c12-9-7-13-10(14-9)8-15-3-1-11(2-4-15)16-5-6-17-11/h7H,1-6,8H2,(H,13,14)
InChIKeyGYMLOTDSHMSGCH-UHFFFAOYSA-N
MW302.17 g/mol
LogP1.51
Rot. Bonds2

About 8-[(5-bromo-1H-imidazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane

8-[(5-bromo-1H-imidazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (PubChem CID 154766600) has the molecular formula C11H16BrN3O2 and a molecular weight of 302.17 g/mol. Its IUPAC name is 8-[(5-bromo-1H-imidazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(5-bromo-1H-imidazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
PubChem CID154766600
Molecular FormulaC11H16BrN3O2
Molecular Weight302.17 g/mol
Exact Mass301.04
IUPAC Name8-[(5-bromo-1H-imidazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane
SMILESBrc1cnc(CN2CCC3(CC2)OCCO3)[nH]1
InChIInChI=1S/C11H16BrN3O2/c12-9-7-13-10(14-9)8-15-3-1-11(2-4-15)16-5-6-17-11/h7H,1-6,8H2,(H,13,14)
InChIKeyGYMLOTDSHMSGCH-UHFFFAOYSA-N
XLogP1.51
TPSA50.38 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.17
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 8-[(5-bromo-1H-imidazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The IUPAC name of 8-[(5-bromo-1H-imidazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane (CID 154766600) is 8-[(5-bromo-1H-imidazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane.
What is the SMILES notation for 8-[(5-bromo-1H-imidazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The canonical SMILES for 8-[(5-bromo-1H-imidazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is Brc1cnc(CN2CCC3(CC2)OCCO3)[nH]1.
What is the InChIKey of 8-[(5-bromo-1H-imidazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
The InChIKey is GYMLOTDSHMSGCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16BrN3O2/c12-9-7-13-10(14-9)8-15-3-1-11(2-4-15)16-5-6-17-11/h7H,1-6,8H2,(H,13,14).
What are the key properties of 8-[(5-bromo-1H-imidazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane?
8-[(5-bromo-1H-imidazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane has a molecular weight of 302.17 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(5-bromo-1H-imidazol-2-yl)methyl]-1,4-dioxa-8-azaspiro[4.5]decane is sourced from PubChem (CID 154766600), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).