1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazolidin-2-one

C17H27N3O — CID 62491482

IUPAC1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazolidin-2-one
SMILESCNC(CN1CCN(C)C1=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H27N3O/c1-13(2)11-14-5-7-15(8-6-14)16(18-3)12-20-10-9-19(4)17(20)21/h5-8,13,16,18H,9-12H2,1-4H3
InChIKeyKOWTZAGEINXDGM-UHFFFAOYSA-N
MW289.42 g/mol
LogP2.51
Rot. Bonds6

About 1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazolidin-2-one

1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazolidin-2-one (PubChem CID 62491482) has the molecular formula C17H27N3O and a molecular weight of 289.42 g/mol. Its IUPAC name is 1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazolidin-2-one
PubChem CID62491482
Molecular FormulaC17H27N3O
Molecular Weight289.42 g/mol
Exact Mass289.22
IUPAC Name1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazolidin-2-one
SMILESCNC(CN1CCN(C)C1=O)c1ccc(CC(C)C)cc1
InChIInChI=1S/C17H27N3O/c1-13(2)11-14-5-7-15(8-6-14)16(18-3)12-20-10-9-19(4)17(20)21/h5-8,13,16,18H,9-12H2,1-4H3
InChIKeyKOWTZAGEINXDGM-UHFFFAOYSA-N
XLogP2.51
TPSA35.58 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500289.42
LogP ≤ 52.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

1-[2-hydroxy-2-[4-(2-methylpropyl)phenyl]ethyl]-3-methylimidazolidin-2-one
CID 62490490
1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazol-2-one
CID 80579598
1-[2-(4-methoxyphenyl)-2-(propylamino)ethyl]-3-methylimidazolidin-2-one
CID 62491666
2-(4-bromophenyl)-N-methyl-1-[4-(2-methylpropyl)phenyl]ethanamine
CID 43480571
3,3,3-trifluoro-N-methyl-1-[4-(2-methylpropyl)phenyl]propan-1-amine
CID 43480587
1-[2-amino-2-(4-methylphenyl)ethyl]-3-methylimidazolidin-2-one
CID 62490472
1-[2-hydroxy-2-(4-propan-2-yloxyphenyl)ethyl]-3-methylimidazolidin-2-one
CID 62492213
N-methyl-1-[4-(2-methylpropyl)phenyl]-3-phenylpropan-1-amine
CID 43480559
N-methyl-1-[4-(2-methylpropyl)phenyl]-2-(oxetan-3-yloxy)ethanamine
CID 102606147
1-methyl-4-[2-(methylamino)-2-phenylethyl]piperazine-2,5-dione
CID 79936590
1-methyl-3-(5-methylhexyl)imidazolidin-2-one
CID 167272324
1-[2-(ethylamino)-2-(2-methylphenyl)ethyl]-3-methylimidazolidin-2-one
CID 62490466

Frequently Asked Questions

What is the IUPAC name of 1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazolidin-2-one?
The IUPAC name of 1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazolidin-2-one (CID 62491482) is 1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazolidin-2-one.
What is the SMILES notation for 1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazolidin-2-one?
The canonical SMILES for 1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazolidin-2-one is CNC(CN1CCN(C)C1=O)c1ccc(CC(C)C)cc1.
What is the InChIKey of 1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazolidin-2-one?
The InChIKey is KOWTZAGEINXDGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H27N3O/c1-13(2)11-14-5-7-15(8-6-14)16(18-3)12-20-10-9-19(4)17(20)21/h5-8,13,16,18H,9-12H2,1-4H3.
What are the key properties of 1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazolidin-2-one?
1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazolidin-2-one has a molecular weight of 289.42 g/mol, XLogP of 2.51, 6 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-3-[2-(methylamino)-2-[4-(2-methylpropyl)phenyl]ethyl]imidazolidin-2-one is sourced from PubChem (CID 62491482), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).