2-(1-methoxy-2-methylpropyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one

C11H20N2O2 — CID 106953016

IUPAC2-(1-methoxy-2-methylpropyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCOC(C1=NC(C(C)C)C(=O)N1)C(C)C
InChIInChI=1S/C11H20N2O2/c1-6(2)8-11(14)13-10(12-8)9(15-5)7(3)4/h6-9H,1-5H3,(H,12,13,14)
InChIKeyYNFTXXAUQWTBRI-UHFFFAOYSA-N
MW212.29 g/mol
LogP1.21
Rot. Bonds4

About 2-(1-methoxy-2-methylpropyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one

2-(1-methoxy-2-methylpropyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one (PubChem CID 106953016) has the molecular formula C11H20N2O2 and a molecular weight of 212.29 g/mol. Its IUPAC name is 2-(1-methoxy-2-methylpropyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(1-methoxy-2-methylpropyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
PubChem CID106953016
Molecular FormulaC11H20N2O2
Molecular Weight212.29 g/mol
Exact Mass212.15
IUPAC Name2-(1-methoxy-2-methylpropyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCOC(C1=NC(C(C)C)C(=O)N1)C(C)C
InChIInChI=1S/C11H20N2O2/c1-6(2)8-11(14)13-10(12-8)9(15-5)7(3)4/h6-9H,1-5H3,(H,12,13,14)
InChIKeyYNFTXXAUQWTBRI-UHFFFAOYSA-N
XLogP1.21
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.29
LogP ≤ 51.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-methoxycyclobutyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953015
2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953207
4-propan-2-yl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one
CID 106953031
2-(4-methylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953084
2-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953110
2-(1-methoxyethyl)-4-propyl-1,4-dihydroimidazol-5-one
CID 106952910
2-(1H-imidazol-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953099
4-propan-2-yl-2-pyridin-2-yl-1,4-dihydroimidazol-5-one
CID 106953112
2-(4-ethylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953192
4-propan-2-yl-2-pyrimidin-4-yl-1,4-dihydroimidazol-5-one
CID 106953040
2-(3-bromophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953186
5-(3-methoxyphenyl)-3-propan-2-yl-1,3-dihydro-1,4-benzodiazepin-2-one
CID 101452406

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxy-2-methylpropyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(1-methoxy-2-methylpropyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one (CID 106953016) is 2-(1-methoxy-2-methylpropyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(1-methoxy-2-methylpropyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(1-methoxy-2-methylpropyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one is COC(C1=NC(C(C)C)C(=O)N1)C(C)C.
What is the InChIKey of 2-(1-methoxy-2-methylpropyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The InChIKey is YNFTXXAUQWTBRI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H20N2O2/c1-6(2)8-11(14)13-10(12-8)9(15-5)7(3)4/h6-9H,1-5H3,(H,12,13,14).
What are the key properties of 2-(1-methoxy-2-methylpropyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
2-(1-methoxy-2-methylpropyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one has a molecular weight of 212.29 g/mol, XLogP of 1.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxy-2-methylpropyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106953016), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).