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

C11H18N2O2 — CID 106953015

IUPAC2-(1-methoxycyclobutyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCOC1(C2=NC(C(C)C)C(=O)N2)CCC1
InChIInChI=1S/C11H18N2O2/c1-7(2)8-9(14)13-10(12-8)11(15-3)5-4-6-11/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyYSEHVPPTAQKTHV-UHFFFAOYSA-N
MW210.28 g/mol
LogP1.11
Rot. Bonds3

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

2-(1-methoxycyclobutyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one (PubChem CID 106953015) has the molecular formula C11H18N2O2 and a molecular weight of 210.28 g/mol. Its IUPAC name is 2-(1-methoxycyclobutyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one.

Molecular Properties

Compound Name2-(1-methoxycyclobutyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
PubChem CID106953015
Molecular FormulaC11H18N2O2
Molecular Weight210.28 g/mol
Exact Mass210.14
IUPAC Name2-(1-methoxycyclobutyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
SMILESCOC1(C2=NC(C(C)C)C(=O)N2)CCC1
InChIInChI=1S/C11H18N2O2/c1-7(2)8-9(14)13-10(12-8)11(15-3)5-4-6-11/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyYSEHVPPTAQKTHV-UHFFFAOYSA-N
XLogP1.11
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500210.28
LogP ≤ 51.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

2-(1-phenylcyclopentyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953089
4-ethyl-2-(4-methoxyoxan-4-yl)-1,4-dihydroimidazol-5-one
CID 106952717
2-(1-methoxy-2-methylpropyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953016
2-(2-methoxybutan-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953207
2-(4-methylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953084
4-propan-2-yl-2-(2,2,2-trifluoroethyl)-1,4-dihydroimidazol-5-one
CID 106953031
2-(4-ethylcyclohexyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953192
2-(4-fluorophenyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953110
5-bromo-4-hydroxy-2-(1-methoxycyclobutyl)-1H-pyrimidin-6-one
CID 116705746
2-(1-methoxycycloheptyl)-4-methyl-5-propan-2-yl-1H-pyrimidin-6-one
CID 136963734
5-(1-chloroethyl)-3-(1-methoxycyclobutyl)-1,2,4-oxadiazole
CID 116701136
2-(1H-imidazol-2-yl)-4-propan-2-yl-1,4-dihydroimidazol-5-one
CID 106953099

Frequently Asked Questions

What is the IUPAC name of 2-(1-methoxycyclobutyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The IUPAC name of 2-(1-methoxycyclobutyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one (CID 106953015) is 2-(1-methoxycyclobutyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one.
What is the SMILES notation for 2-(1-methoxycyclobutyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The canonical SMILES for 2-(1-methoxycyclobutyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one is COC1(C2=NC(C(C)C)C(=O)N2)CCC1.
What is the InChIKey of 2-(1-methoxycyclobutyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
The InChIKey is YSEHVPPTAQKTHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N2O2/c1-7(2)8-9(14)13-10(12-8)11(15-3)5-4-6-11/h7-8H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 2-(1-methoxycyclobutyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one?
2-(1-methoxycyclobutyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one has a molecular weight of 210.28 g/mol, XLogP of 1.11, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1-methoxycyclobutyl)-4-propan-2-yl-1,4-dihydroimidazol-5-one is sourced from PubChem (CID 106953015), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).