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

C18H26N4O — CID 97449413

IUPAC2-(furan-3-ylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCn1ccnc1CN1CCC2(CC1)CCN(Cc1ccoc1)C2
InChIInChI=1S/C18H26N4O/c1-20-10-6-19-17(20)13-21-7-3-18(4-8-21)5-9-22(15-18)12-16-2-11-23-14-16/h2,6,10-11,14H,3-5,7-9,12-13,15H2,1H3
InChIKeyJZCFBTSOTCWHAW-UHFFFAOYSA-N
MW314.43 g/mol
LogP2.50
Rot. Bonds4

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

2-(furan-3-ylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane (PubChem CID 97449413) has the molecular formula C18H26N4O and a molecular weight of 314.43 g/mol. Its IUPAC name is 2-(furan-3-ylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane.

Molecular Properties

Compound Name2-(furan-3-ylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane
PubChem CID97449413
Molecular FormulaC18H26N4O
Molecular Weight314.43 g/mol
Exact Mass314.21
IUPAC Name2-(furan-3-ylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane
SMILESCn1ccnc1CN1CCC2(CC1)CCN(Cc1ccoc1)C2
InChIInChI=1S/C18H26N4O/c1-20-10-6-19-17(20)13-21-7-3-18(4-8-21)5-9-22(15-18)12-16-2-11-23-14-16/h2,6,10-11,14H,3-5,7-9,12-13,15H2,1H3
InChIKeyJZCFBTSOTCWHAW-UHFFFAOYSA-N
XLogP2.50
TPSA37.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 52.50
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(furan-3-ylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane?
The IUPAC name of 2-(furan-3-ylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane (CID 97449413) is 2-(furan-3-ylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane.
What is the SMILES notation for 2-(furan-3-ylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane?
The canonical SMILES for 2-(furan-3-ylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane is Cn1ccnc1CN1CCC2(CC1)CCN(Cc1ccoc1)C2.
What is the InChIKey of 2-(furan-3-ylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane?
The InChIKey is JZCFBTSOTCWHAW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O/c1-20-10-6-19-17(20)13-21-7-3-18(4-8-21)5-9-22(15-18)12-16-2-11-23-14-16/h2,6,10-11,14H,3-5,7-9,12-13,15H2,1H3.
What are the key properties of 2-(furan-3-ylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane?
2-(furan-3-ylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane has a molecular weight of 314.43 g/mol, XLogP of 2.50, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(furan-3-ylmethyl)-8-[(1-methylimidazol-2-yl)methyl]-2,8-diazaspiro[4.5]decane is sourced from PubChem (CID 97449413), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).