propan-2-yl 2-(1H-imidazol-5-yl)acetate

C8H12N2O2 — CID 18973593

IUPACpropan-2-yl 2-(1H-imidazol-5-yl)acetate
SMILESCC(C)OC(=O)Cc1cnc[nH]1
InChIInChI=1S/C8H12N2O2/c1-6(2)12-8(11)3-7-4-9-5-10-7/h4-6H,3H2,1-2H3,(H,9,10)
InChIKeyOJHGGRPCXFKIAF-UHFFFAOYSA-N
MW168.20 g/mol
LogP0.90
Rot. Bonds3

About propan-2-yl 2-(1H-imidazol-5-yl)acetate

propan-2-yl 2-(1H-imidazol-5-yl)acetate (PubChem CID 18973593) has the molecular formula C8H12N2O2 and a molecular weight of 168.20 g/mol. Its IUPAC name is propan-2-yl 2-(1H-imidazol-5-yl)acetate.

Molecular Properties

Compound Namepropan-2-yl 2-(1H-imidazol-5-yl)acetate
PubChem CID18973593
Molecular FormulaC8H12N2O2
Molecular Weight168.20 g/mol
Exact Mass168.09
IUPAC Namepropan-2-yl 2-(1H-imidazol-5-yl)acetate
SMILESCC(C)OC(=O)Cc1cnc[nH]1
InChIInChI=1S/C8H12N2O2/c1-6(2)12-8(11)3-7-4-9-5-10-7/h4-6H,3H2,1-2H3,(H,9,10)
InChIKeyOJHGGRPCXFKIAF-UHFFFAOYSA-N
XLogP0.90
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.20
LogP ≤ 50.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of propan-2-yl 2-(1H-imidazol-5-yl)acetate?
The IUPAC name of propan-2-yl 2-(1H-imidazol-5-yl)acetate (CID 18973593) is propan-2-yl 2-(1H-imidazol-5-yl)acetate.
What is the SMILES notation for propan-2-yl 2-(1H-imidazol-5-yl)acetate?
The canonical SMILES for propan-2-yl 2-(1H-imidazol-5-yl)acetate is CC(C)OC(=O)Cc1cnc[nH]1.
What is the InChIKey of propan-2-yl 2-(1H-imidazol-5-yl)acetate?
The InChIKey is OJHGGRPCXFKIAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N2O2/c1-6(2)12-8(11)3-7-4-9-5-10-7/h4-6H,3H2,1-2H3,(H,9,10).
What are the key properties of propan-2-yl 2-(1H-imidazol-5-yl)acetate?
propan-2-yl 2-(1H-imidazol-5-yl)acetate has a molecular weight of 168.20 g/mol, XLogP of 0.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for propan-2-yl 2-(1H-imidazol-5-yl)acetate is sourced from PubChem (CID 18973593), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).