1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone

C12H18N2O2 — CID 104610093

IUPAC1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCOC1(C(=O)Cc2nccn2C)CCCC1
InChIInChI=1S/C12H18N2O2/c1-14-8-7-13-11(14)9-10(15)12(16-2)5-3-4-6-12/h7-8H,3-6,9H2,1-2H3
InChIKeyIJAXAGPFAHTEIT-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.49
Rot. Bonds4

About 1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone

1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone (PubChem CID 104610093) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is 1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone.

Molecular Properties

Compound Name1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone
PubChem CID104610093
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Name1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone
SMILESCOC1(C(=O)Cc2nccn2C)CCCC1
InChIInChI=1S/C12H18N2O2/c1-14-8-7-13-11(14)9-10(15)12(16-2)5-3-4-6-12/h7-8H,3-6,9H2,1-2H3
InChIKeyIJAXAGPFAHTEIT-UHFFFAOYSA-N
XLogP1.49
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.49
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-(1-hydroxycycloheptyl)-2-(1-methylimidazol-2-yl)ethanone
CID 103450287
2-(1-ethylimidazol-2-yl)-1-(1-methoxycyclobutyl)ethanone
CID 116707035
1-[1-(dimethylamino)cyclohexyl]-2-(1-methylimidazol-2-yl)ethanone
CID 79744204
(1-methoxycyclopentyl)-(1-methylimidazol-2-yl)methanone
CID 104610183
(1-methoxycycloheptyl)-(1-methylimidazol-2-yl)methanone
CID 116750447
1-(1-methoxycyclopentyl)-2-pyridin-4-ylethanone
CID 104610156
1-(1-methylcyclopentyl)-3-(1-methylimidazol-2-yl)propan-1-one
CID 115811706
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycyclopentyl)ethanone
CID 104610214
methyl 1-[[(1-methylimidazol-2-yl)methylamino]methyl]cyclohexane-1-carboxylate
CID 75504143
1-[2-(1-methylimidazol-2-yl)ethyl]cyclohexane-1-carboxylic acid
CID 114528834
1-(1-hydroxycyclohexyl)-2-(1-propylimidazol-2-yl)ethanone
CID 103449553
2-(2,5-dimethylpyrazol-3-yl)-1-(1-methoxycycloheptyl)ethanone
CID 116750559

Frequently Asked Questions

What is the IUPAC name of 1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone?
The IUPAC name of 1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone (CID 104610093) is 1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone.
What is the SMILES notation for 1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone?
The canonical SMILES for 1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone is COC1(C(=O)Cc2nccn2C)CCCC1.
What is the InChIKey of 1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone?
The InChIKey is IJAXAGPFAHTEIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-14-8-7-13-11(14)9-10(15)12(16-2)5-3-4-6-12/h7-8H,3-6,9H2,1-2H3.
What are the key properties of 1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone?
1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone has a molecular weight of 222.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(1-methoxycyclopentyl)-2-(1-methylimidazol-2-yl)ethanone is sourced from PubChem (CID 104610093), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).