1-(4,5-dimethylimidazol-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol

C12H22N2O3 — CID 106989388

IUPAC1-(4,5-dimethylimidazol-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)Cn1cnc(C)c1C
InChIInChI=1S/C12H22N2O3/c1-9(6-16-4)17-7-12(15)5-14-8-13-10(2)11(14)3/h8-9,12,15H,5-7H2,1-4H3
InChIKeyILCLFPMCILSNMI-UHFFFAOYSA-N
MW242.32 g/mol
LogP0.91
Rot. Bonds7

About 1-(4,5-dimethylimidazol-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol

1-(4,5-dimethylimidazol-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol (PubChem CID 106989388) has the molecular formula C12H22N2O3 and a molecular weight of 242.32 g/mol. Its IUPAC name is 1-(4,5-dimethylimidazol-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol.

Molecular Properties

Compound Name1-(4,5-dimethylimidazol-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
PubChem CID106989388
Molecular FormulaC12H22N2O3
Molecular Weight242.32 g/mol
Exact Mass242.16
IUPAC Name1-(4,5-dimethylimidazol-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
SMILESCOCC(C)OCC(O)Cn1cnc(C)c1C
InChIInChI=1S/C12H22N2O3/c1-9(6-16-4)17-7-12(15)5-14-8-13-10(2)11(14)3/h8-9,12,15H,5-7H2,1-4H3
InChIKeyILCLFPMCILSNMI-UHFFFAOYSA-N
XLogP0.91
TPSA56.51 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500242.32
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4,5-dimethylimidazol-1-yl)-3-propan-2-yloxypropan-2-ol
CID 63987835
(2S)-1-amino-3-(4,5-dimethylimidazol-1-yl)propan-2-ol
CID 94410818
1-(4-aminophenoxy)-3-(4,5-dimethylimidazol-1-yl)propan-2-ol
CID 62350715
1-methoxy-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 107508429
1-(2-methoxyethyl)-4,5-dimethylimidazole
CID 54406098
1-(1-methoxypropan-2-yloxy)-3-[3-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 106989366
1-indazol-1-yl-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106989379
1-(1,3-dihydroisoindol-2-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106991981
1-[(1,3-dimethylpyrazol-4-yl)methylamino]-3-(1-methoxypropan-2-yloxy)propan-2-ol
CID 106990390
3-(4,5-dimethylimidazol-1-yl)-N'-hydroxy-2-methylpropanimidamide
CID 76941353
1-(4,5-dimethylimidazol-1-yl)butan-2-amine
CID 62350728
1-(1-methoxypropan-2-yloxy)-3-[4-(trifluoromethyl)pyrazol-1-yl]propan-2-ol
CID 106989455

Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylimidazol-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The IUPAC name of 1-(4,5-dimethylimidazol-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol (CID 106989388) is 1-(4,5-dimethylimidazol-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol.
What is the SMILES notation for 1-(4,5-dimethylimidazol-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The canonical SMILES for 1-(4,5-dimethylimidazol-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol is COCC(C)OCC(O)Cn1cnc(C)c1C.
What is the InChIKey of 1-(4,5-dimethylimidazol-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
The InChIKey is ILCLFPMCILSNMI-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N2O3/c1-9(6-16-4)17-7-12(15)5-14-8-13-10(2)11(14)3/h8-9,12,15H,5-7H2,1-4H3.
What are the key properties of 1-(4,5-dimethylimidazol-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol?
1-(4,5-dimethylimidazol-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol has a molecular weight of 242.32 g/mol, XLogP of 0.91, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylimidazol-1-yl)-3-(1-methoxypropan-2-yloxy)propan-2-ol is sourced from PubChem (CID 106989388), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).