1-(3-methoxy-2-methyl-5-propan-2-ylimidazol-4-yl)ethanone

C10H16N2O2 — CID 68882468

IUPAC1-(3-methoxy-2-methyl-5-propan-2-ylimidazol-4-yl)ethanone
SMILESCOn1c(C)nc(C(C)C)c1C(C)=O
InChIInChI=1S/C10H16N2O2/c1-6(2)9-10(7(3)13)12(14-5)8(4)11-9/h6H,1-5H3
InChIKeyMRSMZUUWSLMZDT-UHFFFAOYSA-N
MW196.25 g/mol
LogP1.58
Rot. Bonds3

About 1-(3-methoxy-2-methyl-5-propan-2-ylimidazol-4-yl)ethanone

1-(3-methoxy-2-methyl-5-propan-2-ylimidazol-4-yl)ethanone (PubChem CID 68882468) has the molecular formula C10H16N2O2 and a molecular weight of 196.25 g/mol. Its IUPAC name is 1-(3-methoxy-2-methyl-5-propan-2-ylimidazol-4-yl)ethanone.

Molecular Properties

Compound Name1-(3-methoxy-2-methyl-5-propan-2-ylimidazol-4-yl)ethanone
PubChem CID68882468
Molecular FormulaC10H16N2O2
Molecular Weight196.25 g/mol
Exact Mass196.12
IUPAC Name1-(3-methoxy-2-methyl-5-propan-2-ylimidazol-4-yl)ethanone
SMILESCOn1c(C)nc(C(C)C)c1C(C)=O
InChIInChI=1S/C10H16N2O2/c1-6(2)9-10(7(3)13)12(14-5)8(4)11-9/h6H,1-5H3
InChIKeyMRSMZUUWSLMZDT-UHFFFAOYSA-N
XLogP1.58
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 ≤ 51.58
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxy-2-methyl-5-propan-2-ylimidazol-4-yl)ethanone?
The IUPAC name of 1-(3-methoxy-2-methyl-5-propan-2-ylimidazol-4-yl)ethanone (CID 68882468) is 1-(3-methoxy-2-methyl-5-propan-2-ylimidazol-4-yl)ethanone.
What is the SMILES notation for 1-(3-methoxy-2-methyl-5-propan-2-ylimidazol-4-yl)ethanone?
The canonical SMILES for 1-(3-methoxy-2-methyl-5-propan-2-ylimidazol-4-yl)ethanone is COn1c(C)nc(C(C)C)c1C(C)=O.
What is the InChIKey of 1-(3-methoxy-2-methyl-5-propan-2-ylimidazol-4-yl)ethanone?
The InChIKey is MRSMZUUWSLMZDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N2O2/c1-6(2)9-10(7(3)13)12(14-5)8(4)11-9/h6H,1-5H3.
What are the key properties of 1-(3-methoxy-2-methyl-5-propan-2-ylimidazol-4-yl)ethanone?
1-(3-methoxy-2-methyl-5-propan-2-ylimidazol-4-yl)ethanone has a molecular weight of 196.25 g/mol, XLogP of 1.58, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxy-2-methyl-5-propan-2-ylimidazol-4-yl)ethanone is sourced from PubChem (CID 68882468), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).