1-[2-ethyl-3-(2-methoxypropan-2-yl)imidazol-4-yl]ethanone

C11H18N2O2 — CID 68880339

IUPAC1-[2-ethyl-3-(2-methoxypropan-2-yl)imidazol-4-yl]ethanone
SMILESCCc1ncc(C(C)=O)n1C(C)(C)OC
InChIInChI=1S/C11H18N2O2/c1-6-10-12-7-9(8(2)14)13(10)11(3,4)15-5/h7H,6H2,1-5H3
InChIKeyNHLVPHNVKWBWHH-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.99
Rot. Bonds4

About 1-[2-ethyl-3-(2-methoxypropan-2-yl)imidazol-4-yl]ethanone

1-[2-ethyl-3-(2-methoxypropan-2-yl)imidazol-4-yl]ethanone (PubChem CID 68880339) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 1-[2-ethyl-3-(2-methoxypropan-2-yl)imidazol-4-yl]ethanone.

Molecular Properties

Compound Name1-[2-ethyl-3-(2-methoxypropan-2-yl)imidazol-4-yl]ethanone
PubChem CID68880339
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name1-[2-ethyl-3-(2-methoxypropan-2-yl)imidazol-4-yl]ethanone
SMILESCCc1ncc(C(C)=O)n1C(C)(C)OC
InChIInChI=1S/C11H18N2O2/c1-6-10-12-7-9(8(2)14)13(10)11(3,4)15-5/h7H,6H2,1-5H3
InChIKeyNHLVPHNVKWBWHH-UHFFFAOYSA-N
XLogP1.99
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.99
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1,2-dimethyl-1H-imidazole-5-carbaldehyde
CID 3159610
1-Methyl-2-(propan-2-yl)-1H-imidazole-5-carbaldehyde
CID 17956783
1-propyl-1H-imidazole-5-carbaldehyde
CID 10240870
Ethanone, 1-(1-methyl-2-nitro-1H-imidazol-5-yl)-
CID 21503737
1-(2-Methyl-1H-imidazol-5-yl)ethan-1-one
CID 13058848
1-ethyl-1H-imidazole-5-carbaldehyde
CID 3159672
1-Ethyl-1H-imidazole-4-carbaldehyde
CID 13509872
1-(1-methyl-1H-imidazol-5-yl)propan-1-one
CID 15128991
1-(1-methyl-1H-imidazol-4-yl)ethan-1-one
CID 23143467
1-(2-ethyl-1H-imidazol-5-yl)ethanone
CID 13058850
1-(1,2-Dimethyl-1H-imidazol-5-yl)ethan-1-one
CID 13483374
1-(1,2-Dimethyl-1H-imidazol-4-yl)ethanone
CID 13483382

Frequently Asked Questions

What is the IUPAC name of 1-[2-ethyl-3-(2-methoxypropan-2-yl)imidazol-4-yl]ethanone?
The IUPAC name of 1-[2-ethyl-3-(2-methoxypropan-2-yl)imidazol-4-yl]ethanone (CID 68880339) is 1-[2-ethyl-3-(2-methoxypropan-2-yl)imidazol-4-yl]ethanone.
What is the SMILES notation for 1-[2-ethyl-3-(2-methoxypropan-2-yl)imidazol-4-yl]ethanone?
The canonical SMILES for 1-[2-ethyl-3-(2-methoxypropan-2-yl)imidazol-4-yl]ethanone is CCc1ncc(C(C)=O)n1C(C)(C)OC.
What is the InChIKey of 1-[2-ethyl-3-(2-methoxypropan-2-yl)imidazol-4-yl]ethanone?
The InChIKey is NHLVPHNVKWBWHH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-6-10-12-7-9(8(2)14)13(10)11(3,4)15-5/h7H,6H2,1-5H3.
What are the key properties of 1-[2-ethyl-3-(2-methoxypropan-2-yl)imidazol-4-yl]ethanone?
1-[2-ethyl-3-(2-methoxypropan-2-yl)imidazol-4-yl]ethanone has a molecular weight of 210.28 g/mol, XLogP of 1.99, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-ethyl-3-(2-methoxypropan-2-yl)imidazol-4-yl]ethanone is sourced from PubChem (CID 68880339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).