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

C11H20N2O2 — CID 63987835

IUPAC1-(4,5-dimethylimidazol-1-yl)-3-propan-2-yloxypropan-2-ol
SMILESCc1ncn(CC(O)COC(C)C)c1C
InChIInChI=1S/C11H20N2O2/c1-8(2)15-6-11(14)5-13-7-12-9(3)10(13)4/h7-8,11,14H,5-6H2,1-4H3
InChIKeyRBWZTFIHLNSSMR-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.29
Rot. Bonds5

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

1-(4,5-dimethylimidazol-1-yl)-3-propan-2-yloxypropan-2-ol (PubChem CID 63987835) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 1-(4,5-dimethylimidazol-1-yl)-3-propan-2-yloxypropan-2-ol.

Molecular Properties

Compound Name1-(4,5-dimethylimidazol-1-yl)-3-propan-2-yloxypropan-2-ol
PubChem CID63987835
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name1-(4,5-dimethylimidazol-1-yl)-3-propan-2-yloxypropan-2-ol
SMILESCc1ncn(CC(O)COC(C)C)c1C
InChIInChI=1S/C11H20N2O2/c1-8(2)15-6-11(14)5-13-7-12-9(3)10(13)4/h7-8,11,14H,5-6H2,1-4H3
InChIKeyRBWZTFIHLNSSMR-UHFFFAOYSA-N
XLogP1.29
TPSA47.28 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(4,5-dimethylimidazol-1-yl)-3-propan-2-yloxypropan-2-ol?
The IUPAC name of 1-(4,5-dimethylimidazol-1-yl)-3-propan-2-yloxypropan-2-ol (CID 63987835) is 1-(4,5-dimethylimidazol-1-yl)-3-propan-2-yloxypropan-2-ol.
What is the SMILES notation for 1-(4,5-dimethylimidazol-1-yl)-3-propan-2-yloxypropan-2-ol?
The canonical SMILES for 1-(4,5-dimethylimidazol-1-yl)-3-propan-2-yloxypropan-2-ol is Cc1ncn(CC(O)COC(C)C)c1C.
What is the InChIKey of 1-(4,5-dimethylimidazol-1-yl)-3-propan-2-yloxypropan-2-ol?
The InChIKey is RBWZTFIHLNSSMR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-8(2)15-6-11(14)5-13-7-12-9(3)10(13)4/h7-8,11,14H,5-6H2,1-4H3.
What are the key properties of 1-(4,5-dimethylimidazol-1-yl)-3-propan-2-yloxypropan-2-ol?
1-(4,5-dimethylimidazol-1-yl)-3-propan-2-yloxypropan-2-ol has a molecular weight of 212.29 g/mol, XLogP of 1.29, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4,5-dimethylimidazol-1-yl)-3-propan-2-yloxypropan-2-ol is sourced from PubChem (CID 63987835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).