8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane

C18H28N6 — CID 97396990

IUPAC8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCn1cc(CN2CCCC23CCN(Cc2nccn2C)CC3)cn1
InChIInChI=1S/C18H28N6/c1-21-11-7-19-17(21)15-23-9-5-18(6-10-23)4-3-8-24(18)14-16-12-20-22(2)13-16/h7,11-13H,3-6,8-10,14-15H2,1-2H3
InChIKeyLPJHAWBTIRBVCB-UHFFFAOYSA-N
MW328.46 g/mol
LogP1.78
Rot. Bonds4

About 8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane

8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane (PubChem CID 97396990) 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-4-yl)methyl]-1,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
PubChem CID97396990
Molecular FormulaC18H28N6
Molecular Weight328.46 g/mol
Exact Mass328.24
IUPAC Name8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane
SMILESCn1cc(CN2CCCC23CCN(Cc2nccn2C)CC3)cn1
InChIInChI=1S/C18H28N6/c1-21-11-7-19-17(21)15-23-9-5-18(6-10-23)4-3-8-24(18)14-16-12-20-22(2)13-16/h7,11-13H,3-6,8-10,14-15H2,1-2H3
InChIKeyLPJHAWBTIRBVCB-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-4-yl)methyl]-1,8-diazaspiro[4.5]decane?
The IUPAC name of 8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane (CID 97396990) is 8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane.
What is the SMILES notation for 8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane?
The canonical SMILES for 8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane is Cn1cc(CN2CCCC23CCN(Cc2nccn2C)CC3)cn1.
What is the InChIKey of 8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane?
The InChIKey is LPJHAWBTIRBVCB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H28N6/c1-21-11-7-19-17(21)15-23-9-5-18(6-10-23)4-3-8-24(18)14-16-12-20-22(2)13-16/h7,11-13H,3-6,8-10,14-15H2,1-2H3.
What are the key properties of 8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-4-yl)methyl]-1,8-diazaspiro[4.5]decane?
8-[(1-methylimidazol-2-yl)methyl]-1-[(1-methylpyrazol-4-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-4-yl)methyl]-1,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97396990), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).