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

C17H24N4O2 — CID 154819324

IUPAC4-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,2-dimethylimidazole
SMILESCc1nc(-c2nccn2C2CCOC3(CCOCC3)C2)cn1C
InChIInChI=1S/C17H24N4O2/c1-13-19-15(12-20(13)2)16-18-6-7-21(16)14-3-8-23-17(11-14)4-9-22-10-5-17/h6-7,12,14H,3-5,8-11H2,1-2H3
InChIKeyNRQHSMCHDOCVIF-UHFFFAOYSA-N
MW316.40 g/mol
LogP2.49
Rot. Bonds2

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

4-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,2-dimethylimidazole (PubChem CID 154819324) has the molecular formula C17H24N4O2 and a molecular weight of 316.40 g/mol. Its IUPAC name is 4-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,2-dimethylimidazole.

Molecular Properties

Compound Name4-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,2-dimethylimidazole
PubChem CID154819324
Molecular FormulaC17H24N4O2
Molecular Weight316.40 g/mol
Exact Mass316.19
IUPAC Name4-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,2-dimethylimidazole
SMILESCc1nc(-c2nccn2C2CCOC3(CCOCC3)C2)cn1C
InChIInChI=1S/C17H24N4O2/c1-13-19-15(12-20(13)2)16-18-6-7-21(16)14-3-8-23-17(11-14)4-9-22-10-5-17/h6-7,12,14H,3-5,8-11H2,1-2H3
InChIKeyNRQHSMCHDOCVIF-UHFFFAOYSA-N
XLogP2.49
TPSA54.10 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.40
LogP ≤ 52.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

2-[[2-[(4S)-2,2-dimethyloxan-4-yl]imidazol-1-yl]methyl]-5-methylpyrazine
CID 95415455
2-[(4S)-2,2-dimethyloxan-4-yl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]imidazole
CID 95894779
1-[14-(4,4-Dimethylpentoxy)tetradecyl]-2-[1-[13-(4-methylpentoxy)tridecyl]imidazol-4-yl]imidazole
CID 174353719
2-[[2-(2,2-Dimethyloxan-4-yl)imidazol-1-yl]methyl]-5-methylpyrazine
CID 56862902
2-(2,2-dimethyltetrahydro-2H-pyran-4-yl)-1-[(1-isobutyl-1H-imidazol-5-yl)methyl]-1H-imidazole
CID 70773740
2-[(4R)-2,2-dimethyloxan-4-yl]-1-[[3-(2-methylpropyl)imidazol-4-yl]methyl]imidazole
CID 95894778
(3S,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 97486672
(3R,5R)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 98778072
(3R,5S)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124232698
(3S,5S)-N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 124521820
N-methyl-7-[(3-methylimidazol-4-yl)methyl]-N-pyrimidin-2-yl-1-oxa-7-azaspiro[4.4]nonan-3-amine
CID 131661724
9-[(2,3-Dimethylimidazol-4-yl)methyl]-1-oxa-9-azaspiro[5.5]undecane
CID 137957067

Frequently Asked Questions

What is the IUPAC name of 4-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,2-dimethylimidazole?
The IUPAC name of 4-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,2-dimethylimidazole (CID 154819324) is 4-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,2-dimethylimidazole.
What is the SMILES notation for 4-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,2-dimethylimidazole?
The canonical SMILES for 4-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,2-dimethylimidazole is Cc1nc(-c2nccn2C2CCOC3(CCOCC3)C2)cn1C.
What is the InChIKey of 4-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,2-dimethylimidazole?
The InChIKey is NRQHSMCHDOCVIF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4O2/c1-13-19-15(12-20(13)2)16-18-6-7-21(16)14-3-8-23-17(11-14)4-9-22-10-5-17/h6-7,12,14H,3-5,8-11H2,1-2H3.
What are the key properties of 4-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,2-dimethylimidazole?
4-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,2-dimethylimidazole has a molecular weight of 316.40 g/mol, XLogP of 2.49, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-(1,9-dioxaspiro[5.5]undecan-4-yl)imidazol-2-yl]-1,2-dimethylimidazole is sourced from PubChem (CID 154819324), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).