propan-2-yl 2-(4,5-dimethylimidazol-1-yl)acetate

C10H16N2O2 — CID 54219397

IUPACpropan-2-yl 2-(4,5-dimethylimidazol-1-yl)acetate
SMILESCc1ncn(CC(=O)OC(C)C)c1C
InChIInChI=1S/C10H16N2O2/c1-7(2)14-10(13)5-12-6-11-8(3)9(12)4/h6-7H,5H2,1-4H3
InChIKeyXDSZUNCTSHVKLH-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.45
Rot. Bonds3

About propan-2-yl 2-(4,5-dimethylimidazol-1-yl)acetate

propan-2-yl 2-(4,5-dimethylimidazol-1-yl)acetate (PubChem CID 54219397) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is propan-2-yl 2-(4,5-dimethylimidazol-1-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(4,5-dimethylimidazol-1-yl)acetate
PubChem CID54219397
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Namepropan-2-yl 2-(4,5-dimethylimidazol-1-yl)acetate
SMILESCc1ncn(CC(=O)OC(C)C)c1C
InChIInChI=1S/C10H16N2O2/c1-7(2)14-10(13)5-12-6-11-8(3)9(12)4/h6-7H,5H2,1-4H3
InChIKeyXDSZUNCTSHVKLH-UHFFFAOYSA-N
XLogP1.45
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.25
LogP ≤ 51.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(4,5-dimethylimidazol-1-yl)acetate?
The IUPAC name of propan-2-yl 2-(4,5-dimethylimidazol-1-yl)acetate (CID 54219397) is propan-2-yl 2-(4,5-dimethylimidazol-1-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(4,5-dimethylimidazol-1-yl)acetate?
The canonical SMILES for propan-2-yl 2-(4,5-dimethylimidazol-1-yl)acetate is Cc1ncn(CC(=O)OC(C)C)c1C.
What is the InChIKey of propan-2-yl 2-(4,5-dimethylimidazol-1-yl)acetate?
The InChIKey is XDSZUNCTSHVKLH-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-7(2)14-10(13)5-12-6-11-8(3)9(12)4/h6-7H,5H2,1-4H3.
What are the key properties of propan-2-yl 2-(4,5-dimethylimidazol-1-yl)acetate?
propan-2-yl 2-(4,5-dimethylimidazol-1-yl)acetate has a molecular weight of 196.25 g/mol, XLogP of 1.45, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(4,5-dimethylimidazol-1-yl)acetate is sourced from PubChem (CID 54219397), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).