3-(2,3-dimethyl-2H-imidazol-1-yl)propane-1,2-diol

C8H16N2O2 — CID 67085778

IUPAC3-(2,3-dimethyl-2H-imidazol-1-yl)propane-1,2-diol
SMILESCC1N(C)C=CN1CC(O)CO
InChIInChI=1S/C8H16N2O2/c1-7-9(2)3-4-10(7)5-8(12)6-11/h3-4,7-8,11-12H,5-6H2,1-2H3
InChIKeyLVZJBGNNRJQAAA-UHFFFAOYSA-N
MW172.23 g/mol
LogP-0.60
Rot. Bonds3

About 3-(2,3-dimethyl-2H-imidazol-1-yl)propane-1,2-diol

3-(2,3-dimethyl-2H-imidazol-1-yl)propane-1,2-diol (PubChem CID 67085778) has the molecular formula C8H16N2O2 and a molecular weight of 172.23 g/mol. Its IUPAC name is 3-(2,3-dimethyl-2H-imidazol-1-yl)propane-1,2-diol.

Molecular Properties

Compound Name3-(2,3-dimethyl-2H-imidazol-1-yl)propane-1,2-diol
PubChem CID67085778
Molecular FormulaC8H16N2O2
Molecular Weight172.23 g/mol
Exact Mass172.12
IUPAC Name3-(2,3-dimethyl-2H-imidazol-1-yl)propane-1,2-diol
SMILESCC1N(C)C=CN1CC(O)CO
InChIInChI=1S/C8H16N2O2/c1-7-9(2)3-4-10(7)5-8(12)6-11/h3-4,7-8,11-12H,5-6H2,1-2H3
InChIKeyLVZJBGNNRJQAAA-UHFFFAOYSA-N
XLogP-0.60
TPSA46.94 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500172.23
LogP ≤ 5-0.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-(2,3-dimethyl-2H-imidazol-1-yl)propane-1,2-diol?
The IUPAC name of 3-(2,3-dimethyl-2H-imidazol-1-yl)propane-1,2-diol (CID 67085778) is 3-(2,3-dimethyl-2H-imidazol-1-yl)propane-1,2-diol.
What is the SMILES notation for 3-(2,3-dimethyl-2H-imidazol-1-yl)propane-1,2-diol?
The canonical SMILES for 3-(2,3-dimethyl-2H-imidazol-1-yl)propane-1,2-diol is CC1N(C)C=CN1CC(O)CO.
What is the InChIKey of 3-(2,3-dimethyl-2H-imidazol-1-yl)propane-1,2-diol?
The InChIKey is LVZJBGNNRJQAAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H16N2O2/c1-7-9(2)3-4-10(7)5-8(12)6-11/h3-4,7-8,11-12H,5-6H2,1-2H3.
What are the key properties of 3-(2,3-dimethyl-2H-imidazol-1-yl)propane-1,2-diol?
3-(2,3-dimethyl-2H-imidazol-1-yl)propane-1,2-diol has a molecular weight of 172.23 g/mol, XLogP of -0.60, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2,3-dimethyl-2H-imidazol-1-yl)propane-1,2-diol is sourced from PubChem (CID 67085778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).