(2-propan-2-yloxyphenyl) imidazole-1-carboxylate

C13H14N2O3 — CID 68958363

IUPAC(2-propan-2-yloxyphenyl) imidazole-1-carboxylate
SMILESCC(C)Oc1ccccc1OC(=O)n1ccnc1
InChIInChI=1S/C13H14N2O3/c1-10(2)17-11-5-3-4-6-12(11)18-13(16)15-8-7-14-9-15/h3-10H,1-2H3
InChIKeyGADXSFSDDSWPEY-UHFFFAOYSA-N
MW246.27 g/mol
LogP2.72
Rot. Bonds3

About (2-propan-2-yloxyphenyl) imidazole-1-carboxylate

(2-propan-2-yloxyphenyl) imidazole-1-carboxylate (PubChem CID 68958363) has the molecular formula C13H14N2O3 and a molecular weight of 246.27 g/mol. Its IUPAC name is (2-propan-2-yloxyphenyl) imidazole-1-carboxylate.

Molecular Properties

Compound Name(2-propan-2-yloxyphenyl) imidazole-1-carboxylate
PubChem CID68958363
Molecular FormulaC13H14N2O3
Molecular Weight246.27 g/mol
Exact Mass246.10
IUPAC Name(2-propan-2-yloxyphenyl) imidazole-1-carboxylate
SMILESCC(C)Oc1ccccc1OC(=O)n1ccnc1
InChIInChI=1S/C13H14N2O3/c1-10(2)17-11-5-3-4-6-12(11)18-13(16)15-8-7-14-9-15/h3-10H,1-2H3
InChIKeyGADXSFSDDSWPEY-UHFFFAOYSA-N
XLogP2.72
TPSA53.35 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.27
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (2-propan-2-yloxyphenyl) imidazole-1-carboxylate?
The IUPAC name of (2-propan-2-yloxyphenyl) imidazole-1-carboxylate (CID 68958363) is (2-propan-2-yloxyphenyl) imidazole-1-carboxylate.
What is the SMILES notation for (2-propan-2-yloxyphenyl) imidazole-1-carboxylate?
The canonical SMILES for (2-propan-2-yloxyphenyl) imidazole-1-carboxylate is CC(C)Oc1ccccc1OC(=O)n1ccnc1.
What is the InChIKey of (2-propan-2-yloxyphenyl) imidazole-1-carboxylate?
The InChIKey is GADXSFSDDSWPEY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N2O3/c1-10(2)17-11-5-3-4-6-12(11)18-13(16)15-8-7-14-9-15/h3-10H,1-2H3.
What are the key properties of (2-propan-2-yloxyphenyl) imidazole-1-carboxylate?
(2-propan-2-yloxyphenyl) imidazole-1-carboxylate has a molecular weight of 246.27 g/mol, XLogP of 2.72, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2-propan-2-yloxyphenyl) imidazole-1-carboxylate is sourced from PubChem (CID 68958363), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).