1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-one

C10H18N2O2 — CID 115943814

IUPAC1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-one
SMILESCn1ccn(CCOC(C)(C)C)c1=O
InChIInChI=1S/C10H18N2O2/c1-10(2,3)14-8-7-12-6-5-11(4)9(12)13/h5-6H,7-8H2,1-4H3
InChIKeyNKNKXVLJBIEIHX-UHFFFAOYSA-N
MW198.27 g/mol
LogP1.00
Rot. Bonds3

About 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-one

1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-one (PubChem CID 115943814) has the molecular formula C10H18N2O2 and a molecular weight of 198.27 g/mol. Its IUPAC name is 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-one
PubChem CID115943814
Molecular FormulaC10H18N2O2
Molecular Weight198.27 g/mol
Exact Mass198.14
IUPAC Name1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-one
SMILESCn1ccn(CCOC(C)(C)C)c1=O
InChIInChI=1S/C10H18N2O2/c1-10(2,3)14-8-7-12-6-5-11(4)9(12)13/h5-6H,7-8H2,1-4H3
InChIKeyNKNKXVLJBIEIHX-UHFFFAOYSA-N
XLogP1.00
TPSA36.16 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.27
LogP ≤ 51.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-one?
The IUPAC name of 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-one (CID 115943814) is 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-one.
What is the SMILES notation for 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-one?
The canonical SMILES for 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-one is Cn1ccn(CCOC(C)(C)C)c1=O.
What is the InChIKey of 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-one?
The InChIKey is NKNKXVLJBIEIHX-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H18N2O2/c1-10(2,3)14-8-7-12-6-5-11(4)9(12)13/h5-6H,7-8H2,1-4H3.
What are the key properties of 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-one?
1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-one has a molecular weight of 198.27 g/mol, XLogP of 1.00, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-[(2-methylpropan-2-yl)oxy]ethyl]imidazol-2-one is sourced from PubChem (CID 115943814), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).