8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane

C18H28N6 — CID 97396972

IUPAC8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCn1ccc(CN2CCCC23CCN(Cc2nccn2C)CC3)n1
InChIInChI=1S/C18H28N6/c1-21-13-8-19-17(21)15-23-11-6-18(7-12-23)5-3-9-24(18)14-16-4-10-22(2)20-16/h4,8,10,13H,3,5-7,9,11-12,14-15H2,1-2H3
InChIKeyHQVGSOPRKWTQRK-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.78
Rot. Bonds4

About 8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane

8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane (PubChem CID 97396972) has the molecular formula C18H28N6 and a molecular weight of 328.46 g/mol. Its IUPAC name is 8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
PubChem CID97396972
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCn1ccc(CN2CCCC23CCN(Cc2nccn2C)CC3)n1
InChIInChI=1S/C18H28N6/c1-21-13-8-19-17(21)15-23-11-6-18(7-12-23)5-3-9-24(18)14-16-4-10-22(2)20-16/h4,8,10,13H,3,5-7,9,11-12,14-15H2,1-2H3
InChIKeyHQVGSOPRKWTQRK-UHFFFAOYSA-N
XLogP1.78
TPSA42.12 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 51.78
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane (CID 97396972) is 8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane is Cn1ccc(CN2CCCC23CCN(Cc2nccn2C)CC3)n1.
What is the InChIKey of 8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
The InChIKey is HQVGSOPRKWTQRK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-21-13-8-19-17(21)15-23-11-6-18(7-12-23)5-3-9-24(18)14-16-4-10-22(2)20-16/h4,8,10,13H,3,5-7,9,11-12,14-15H2,1-2H3.
What are the key properties of 8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane?
8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane has a molecular weight of 328.46 g/mol, XLogP of 1.78, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-3-yl)methyl]-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97396972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).