1-(2-aminoethyl)-4-(2,3,5,6-tetramethylphenyl)imidazolidin-2-one

C15H23N3O — CID 116978181

IUPAC1-(2-aminoethyl)-4-(2,3,5,6-tetramethylphenyl)imidazolidin-2-one
SMILESCc1cc(C)c(C)c(C2CN(CCN)C(=O)N2)c1C
InChIInChI=1S/C15H23N3O/c1-9-7-10(2)12(4)14(11(9)3)13-8-18(6-5-16)15(19)17-13/h7,13H,5-6,8,16H2,1-4H3,(H,17,19)
InChIKeyBGLKPOYRMFWOAR-UHFFFAOYSA-N
MW261.37 g/mol
LogP1.95
Rot. Bonds3

About 1-(2-aminoethyl)-4-(2,3,5,6-tetramethylphenyl)imidazolidin-2-one

1-(2-aminoethyl)-4-(2,3,5,6-tetramethylphenyl)imidazolidin-2-one (PubChem CID 116978181) has the molecular formula C15H23N3O and a molecular weight of 261.37 g/mol. Its IUPAC name is 1-(2-aminoethyl)-4-(2,3,5,6-tetramethylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(2-aminoethyl)-4-(2,3,5,6-tetramethylphenyl)imidazolidin-2-one
PubChem CID116978181
Molecular FormulaC15H23N3O
Molecular Weight261.37 g/mol
Exact Mass261.18
IUPAC Name1-(2-aminoethyl)-4-(2,3,5,6-tetramethylphenyl)imidazolidin-2-one
SMILESCc1cc(C)c(C)c(C2CN(CCN)C(=O)N2)c1C
InChIInChI=1S/C15H23N3O/c1-9-7-10(2)12(4)14(11(9)3)13-8-18(6-5-16)15(19)17-13/h7,13H,5-6,8,16H2,1-4H3,(H,17,19)
InChIKeyBGLKPOYRMFWOAR-UHFFFAOYSA-N
XLogP1.95
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.37
LogP ≤ 51.95
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

1-Benzylimidazolidin-2-one
CID 231403
(4R,5S)-(-)-1,5-Dimethyl-4-phenyl-2-imidazolidinone
CID 6931391
4-Phenylimidazolidin-2-one
CID 322644
1-(3-Methylbenzyl)imidazolidin-2-one
CID 3236942
1-(2-Methylbenzyl)imidazolidin-2-one
CID 3241808
1-(4-Methylbenzyl)imidazolidin-2-one
CID 4233133
(R)-N-(naphthalen-2-ylmethyl)-N-(pyrrolidin-3-yl)acetamide
CID 11572546
[2-[3,5-bis(trifluoromethyl)phenyl]pyrrolidin-1-yl]-[(2S)-2-(4-fluoro-2-methylphenyl)piperazin-1-yl]methanone
CID 20599010
(2S)-2-phenyl-N-(3-phenylpropyl)pyrrolidine-1-carboxamide
CID 52641321
4,5-Diphenyl-2-imidazolidinone
CID 271075
Pyrrolidine-1-carboxylic acid [1-(3-isopropenyl-phenyl)-1-methyl-ethyl]-amide
CID 773391
1-(2,5-dimethylbenzyl)tetrahydropyrimidin-2(1H)-one
CID 3239361

Frequently Asked Questions

What is the IUPAC name of 1-(2-aminoethyl)-4-(2,3,5,6-tetramethylphenyl)imidazolidin-2-one?
The IUPAC name of 1-(2-aminoethyl)-4-(2,3,5,6-tetramethylphenyl)imidazolidin-2-one (CID 116978181) is 1-(2-aminoethyl)-4-(2,3,5,6-tetramethylphenyl)imidazolidin-2-one.
What is the SMILES notation for 1-(2-aminoethyl)-4-(2,3,5,6-tetramethylphenyl)imidazolidin-2-one?
The canonical SMILES for 1-(2-aminoethyl)-4-(2,3,5,6-tetramethylphenyl)imidazolidin-2-one is Cc1cc(C)c(C)c(C2CN(CCN)C(=O)N2)c1C.
What is the InChIKey of 1-(2-aminoethyl)-4-(2,3,5,6-tetramethylphenyl)imidazolidin-2-one?
The InChIKey is BGLKPOYRMFWOAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N3O/c1-9-7-10(2)12(4)14(11(9)3)13-8-18(6-5-16)15(19)17-13/h7,13H,5-6,8,16H2,1-4H3,(H,17,19).
What are the key properties of 1-(2-aminoethyl)-4-(2,3,5,6-tetramethylphenyl)imidazolidin-2-one?
1-(2-aminoethyl)-4-(2,3,5,6-tetramethylphenyl)imidazolidin-2-one has a molecular weight of 261.37 g/mol, XLogP of 1.95, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-aminoethyl)-4-(2,3,5,6-tetramethylphenyl)imidazolidin-2-one is sourced from PubChem (CID 116978181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).