1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one

C21H26N2O — CID 101485045

IUPAC1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one
SMILESCc1cc(C)c(N2CC(=O)N(c3c(C)cc(C)cc3C)C2)c(C)c1
InChIInChI=1S/C21H26N2O/c1-13-7-15(3)20(16(4)8-13)22-11-19(24)23(12-22)21-17(5)9-14(2)10-18(21)6/h7-10H,11-12H2,1-6H3
InChIKeyPJTACINAIWSZML-UHFFFAOYSA-N
MW322.45 g/mol
LogP4.35
Rot. Bonds2

About 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one

1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one (PubChem CID 101485045) has the molecular formula C21H26N2O and a molecular weight of 322.45 g/mol. Its IUPAC name is 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one.

Molecular Properties

Compound Name1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one
PubChem CID101485045
Molecular FormulaC21H26N2O
Molecular Weight322.45 g/mol
Exact Mass322.20
IUPAC Name1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one
SMILESCc1cc(C)c(N2CC(=O)N(c3c(C)cc(C)cc3C)C2)c(C)c1
InChIInChI=1S/C21H26N2O/c1-13-7-15(3)20(16(4)8-13)22-11-19(24)23(12-22)21-17(5)9-14(2)10-18(21)6/h7-10H,11-12H2,1-6H3
InChIKeyPJTACINAIWSZML-UHFFFAOYSA-N
XLogP4.35
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 54.35
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Related Compounds

1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-imine;chloro hypochlorite
CID 175231814
1-ethyl-4-(2,4,6-trimethylphenyl)piperazin-2-one
CID 117013590
1-(2,4,6-trimethylphenyl)-2,5-dihydropyrrole
CID 171371589
1,3-bis(2,4,6-trimethylphenyl)-2H-benzimidazole
CID 66843107
1-(2,4,6-trimethylphenyl)piperidine-2,3-dione
CID 117013765
4-chloro-1,3-bis(2,4,6-trimethylphenyl)imidazolidine
CID 173174969
2-sulfanylidene-3-(2,4,6-trimethylphenyl)-1,3-thiazolidin-4-one
CID 50873042
2-(2,4,6-trimethylphenyl)-4H-pyrazol-3-one
CID 112656236
1,3-bis(2,4,6-trimethylphenyl)-2,4-dihydroimidazol-1-ium-5-amine;vanadium
CID 175973567
4-(chloromethyl)-5-methyl-1,3-bis(2,4,6-trimethylphenyl)-2H-imidazole
CID 171378130
1-(2-carboxy-4,6-dimethylphenyl)-5-oxopyrrolidine-3-carboxylic acid
CID 168691050
(2R,6S)-1,2,6-trimethyl-4-(2,4,6-trimethylphenyl)piperazine
CID 170657864

Frequently Asked Questions

What is the IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one?
The IUPAC name of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one (CID 101485045) is 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one.
What is the SMILES notation for 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one?
The canonical SMILES for 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one is Cc1cc(C)c(N2CC(=O)N(c3c(C)cc(C)cc3C)C2)c(C)c1.
What is the InChIKey of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one?
The InChIKey is PJTACINAIWSZML-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H26N2O/c1-13-7-15(3)20(16(4)8-13)22-11-19(24)23(12-22)21-17(5)9-14(2)10-18(21)6/h7-10H,11-12H2,1-6H3.
What are the key properties of 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one?
1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one has a molecular weight of 322.45 g/mol, XLogP of 4.35, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1,3-bis(2,4,6-trimethylphenyl)imidazolidin-4-one is sourced from PubChem (CID 101485045), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).