2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole

C18H26N4O2 — CID 154823510

IUPAC2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole
SMILESCc1nc(-c2nccn2C2CCOC3(CCOCC3)C2)n(C)c1C
InChIInChI=1S/C18H26N4O2/c1-13-14(2)21(3)17(20-13)16-19-7-8-22(16)15-4-9-24-18(12-15)5-10-23-11-6-18/h7-8,15H,4-6,9-12H2,1-3H3
InChIKeyMMSRIDJYHJNJGY-UHFFFAOYSA-N
MW330.43 g/mol
LogP2.80
Rot. Bonds2

About 2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole

2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole (PubChem CID 154823510) has the molecular formula C18H26N4O2 and a molecular weight of 330.43 g/mol. Its IUPAC name is 2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole.

Molecular Properties

Compound Name2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole
PubChem CID154823510
Molecular FormulaC18H26N4O2
Molecular Weight330.43 g/mol
Exact Mass330.21
IUPAC Name2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole
SMILESCc1nc(-c2nccn2C2CCOC3(CCOCC3)C2)n(C)c1C
InChIInChI=1S/C18H26N4O2/c1-13-14(2)21(3)17(20-13)16-19-7-8-22(16)15-4-9-24-18(12-15)5-10-23-11-6-18/h7-8,15H,4-6,9-12H2,1-3H3
InChIKeyMMSRIDJYHJNJGY-UHFFFAOYSA-N
XLogP2.80
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.43
LogP ≤ 52.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-2-(2-methylphenyl)pyrimidine
CID 154818731
1-[3-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]phenyl]-N,N-dimethylmethanamine
CID 154821862
4-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1-phenyltriazole
CID 154821785
2-(3-chloro-4-propoxyphenyl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazole
CID 154820410
2-ethyl-1-(5-oxaspiro[3.5]nonan-8-yl)imidazole
CID 79919368
1-(1,9-dioxaspiro[5.5]undecan-4-yl)-3,5-dimethylpyrazole-4-carboxylic acid
CID 79899673
N-[[2-(1,9-dioxaspiro[5.5]undecan-4-yl)-1,2,4-triazol-3-yl]methyl]propan-2-amine
CID 79910560
6-chloro-3-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrimidin-4-one
CID 114582130
4-(chloromethyl)-1-(2,6-dioxaspiro[4.5]decan-9-yl)-3,5-dimethylpyrazole
CID 79919712
1-(1,3-dimethylpyrazol-4-yl)-1-(1,9-dioxaspiro[5.5]undecan-4-yl)-N-methylmethanamine
CID 102804139
1-(1,9-dioxaspiro[5.5]undecan-4-yl)pyrazol-3-amine
CID 79903246
(2,6-dimethyl-3-pyridinyl)-(1,9-dioxaspiro[5.5]undecan-4-yl)methanamine
CID 105167540

Frequently Asked Questions

What is the IUPAC name of 2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole?
The IUPAC name of 2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole (CID 154823510) is 2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole.
What is the SMILES notation for 2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole?
The canonical SMILES for 2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole is Cc1nc(-c2nccn2C2CCOC3(CCOCC3)C2)n(C)c1C.
What is the InChIKey of 2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole?
The InChIKey is MMSRIDJYHJNJGY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H26N4O2/c1-13-14(2)21(3)17(20-13)16-19-7-8-22(16)15-4-9-24-18(12-15)5-10-23-11-6-18/h7-8,15H,4-6,9-12H2,1-3H3.
What are the key properties of 2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole?
2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole has a molecular weight of 330.43 g/mol, XLogP of 2.80, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,4,5-trimethylimidazole is sourced from PubChem (CID 154823510), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).