1-[(4S)-4-methyl-2,3-di(propan-2-yl)imidazolidin-1-yl]ethanone

C12H24N2O — CID 134573108

IUPAC1-[(4S)-4-methyl-2,3-di(propan-2-yl)imidazolidin-1-yl]ethanone
SMILESCC(=O)N1C[C@H](C)N(C(C)C)C1C(C)C
InChIInChI=1S/C12H24N2O/c1-8(2)12-13(11(6)15)7-10(5)14(12)9(3)4/h8-10,12H,7H2,1-6H3/t10-,12?/m0/s1
InChIKeyCRJPJNICZOVKQW-NUHJPDEHSA-N
MW212.34 g/mol
LogP1.93
Rot. Bonds2

About 1-[(4S)-4-methyl-2,3-di(propan-2-yl)imidazolidin-1-yl]ethanone

1-[(4S)-4-methyl-2,3-di(propan-2-yl)imidazolidin-1-yl]ethanone (PubChem CID 134573108) has the molecular formula C12H24N2O and a molecular weight of 212.34 g/mol. Its IUPAC name is 1-[(4S)-4-methyl-2,3-di(propan-2-yl)imidazolidin-1-yl]ethanone.

Molecular Properties

Compound Name1-[(4S)-4-methyl-2,3-di(propan-2-yl)imidazolidin-1-yl]ethanone
PubChem CID134573108
Molecular FormulaC12H24N2O
Molecular Weight212.34 g/mol
Exact Mass212.19
IUPAC Name1-[(4S)-4-methyl-2,3-di(propan-2-yl)imidazolidin-1-yl]ethanone
SMILESCC(=O)N1C[C@H](C)N(C(C)C)C1C(C)C
InChIInChI=1S/C12H24N2O/c1-8(2)12-13(11(6)15)7-10(5)14(12)9(3)4/h8-10,12H,7H2,1-6H3/t10-,12?/m0/s1
InChIKeyCRJPJNICZOVKQW-NUHJPDEHSA-N
XLogP1.93
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500212.34
LogP ≤ 51.93
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1-(3,5-dimethyl-4-propan-2-ylpiperazin-1-yl)ethanone
CID 163675775
(4S)-1-ethyl-4-methyl-2,3-di(propan-2-yl)imidazolidine
CID 134572937
(3R,5S)-N,N,3,5-tetramethyl-4-propan-2-ylpiperazine-1-carboxamide
CID 146478698
1-(8-propan-2-yl-3,8-diazabicyclo[3.2.1]octan-3-yl)ethanone
CID 70209663
1-(2-propan-2-ylazetidin-1-yl)ethanone
CID 131133539
1-[5-methyl-2,3-di(propan-2-yl)piperidin-1-yl]ethanone
CID 170293881
1-(4-methyl-1,3-oxazolidin-3-yl)ethanone
CID 45087395
ethane;(2R)-2,4,6-trimethyl-1-propan-2-ylpiperazine
CID 171506336
1-(2,5-dimethylpiperidin-1-yl)ethanone;ethane
CID 156753838
1-[(2R,5R)-5-hydroxy-2-methylpiperidin-1-yl]ethanone
CID 93498601
1-(2,5-dimethylpiperazin-1-yl)ethanone
CID 20691603
(2R,5R)-2,5-dimethyl-1-propan-2-ylpyrrolidine
CID 58977160

Frequently Asked Questions

What is the IUPAC name of 1-[(4S)-4-methyl-2,3-di(propan-2-yl)imidazolidin-1-yl]ethanone?
The IUPAC name of 1-[(4S)-4-methyl-2,3-di(propan-2-yl)imidazolidin-1-yl]ethanone (CID 134573108) is 1-[(4S)-4-methyl-2,3-di(propan-2-yl)imidazolidin-1-yl]ethanone.
What is the SMILES notation for 1-[(4S)-4-methyl-2,3-di(propan-2-yl)imidazolidin-1-yl]ethanone?
The canonical SMILES for 1-[(4S)-4-methyl-2,3-di(propan-2-yl)imidazolidin-1-yl]ethanone is CC(=O)N1C[C@H](C)N(C(C)C)C1C(C)C.
What is the InChIKey of 1-[(4S)-4-methyl-2,3-di(propan-2-yl)imidazolidin-1-yl]ethanone?
The InChIKey is CRJPJNICZOVKQW-NUHJPDEHSA-N. The full InChI is InChI=1S/C12H24N2O/c1-8(2)12-13(11(6)15)7-10(5)14(12)9(3)4/h8-10,12H,7H2,1-6H3/t10-,12?/m0/s1.
What are the key properties of 1-[(4S)-4-methyl-2,3-di(propan-2-yl)imidazolidin-1-yl]ethanone?
1-[(4S)-4-methyl-2,3-di(propan-2-yl)imidazolidin-1-yl]ethanone has a molecular weight of 212.34 g/mol, XLogP of 1.93, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4S)-4-methyl-2,3-di(propan-2-yl)imidazolidin-1-yl]ethanone is sourced from PubChem (CID 134573108), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).