(4S)-4-(2,3,4,5,6-pentamethylphenyl)imidazolidin-2-one

C14H20N2O — CID 171252803

IUPAC(4S)-4-(2,3,4,5,6-pentamethylphenyl)imidazolidin-2-one
SMILESCc1c(C)c(C)c([C@H]2CNC(=O)N2)c(C)c1C
InChIInChI=1S/C14H20N2O/c1-7-8(2)10(4)13(11(5)9(7)3)12-6-15-14(17)16-12/h12H,6H2,1-5H3,(H2,15,16,17)/t12-/m1/s1
InChIKeyBWOCOELMQFEZIG-GFCCVEGCSA-N
MW232.33 g/mol
LogP2.58
Rot. Bonds1

About (4S)-4-(2,3,4,5,6-pentamethylphenyl)imidazolidin-2-one

(4S)-4-(2,3,4,5,6-pentamethylphenyl)imidazolidin-2-one (PubChem CID 171252803) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (4S)-4-(2,3,4,5,6-pentamethylphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name(4S)-4-(2,3,4,5,6-pentamethylphenyl)imidazolidin-2-one
PubChem CID171252803
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(4S)-4-(2,3,4,5,6-pentamethylphenyl)imidazolidin-2-one
SMILESCc1c(C)c(C)c([C@H]2CNC(=O)N2)c(C)c1C
InChIInChI=1S/C14H20N2O/c1-7-8(2)10(4)13(11(5)9(7)3)12-6-15-14(17)16-12/h12H,6H2,1-5H3,(H2,15,16,17)/t12-/m1/s1
InChIKeyBWOCOELMQFEZIG-GFCCVEGCSA-N
XLogP2.58
TPSA41.13 Ų
H-Bond Donors2
H-Bond Acceptors1
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.58
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 101

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Related Compounds

(4S)-4-(4-hydroxy-2,6-dimethylphenyl)imidazolidin-2-one
CID 131574869
(4S)-4-(2-chloro-6-methylphenyl)imidazolidin-2-one
CID 131150939
(4R)-4-(2,6-dimethoxyphenyl)imidazolidin-2-one
CID 171252504
(4S)-4-(3,6-dichloro-2-fluorophenyl)imidazolidin-2-one
CID 171252831
(4R)-4-(3-chloro-4-methylphenyl)imidazolidin-2-one
CID 130642849
4-(2-chloro-6-fluorophenyl)imidazolidin-2-one
CID 130148791
4-(5-tert-butyl-2-methylphenyl)imidazolidin-2-one
CID 116855787
(4R)-4-(4-hydroxyphenyl)imidazolidin-2-one
CID 130739851
4-(2-chloro-5-fluoro-4-methylphenyl)imidazolidin-2-one
CID 116855884
(4S)-4-(4-methoxy-2-methylphenyl)imidazolidin-2-one
CID 171252808
5-(4-methoxy-2,3,6-trimethylphenyl)piperazine-2,3-dione
CID 116856067
(4S)-4-(2,4,5-trifluorophenyl)imidazolidin-2-one
CID 171252769

Frequently Asked Questions

What is the IUPAC name of (4S)-4-(2,3,4,5,6-pentamethylphenyl)imidazolidin-2-one?
The IUPAC name of (4S)-4-(2,3,4,5,6-pentamethylphenyl)imidazolidin-2-one (CID 171252803) is (4S)-4-(2,3,4,5,6-pentamethylphenyl)imidazolidin-2-one.
What is the SMILES notation for (4S)-4-(2,3,4,5,6-pentamethylphenyl)imidazolidin-2-one?
The canonical SMILES for (4S)-4-(2,3,4,5,6-pentamethylphenyl)imidazolidin-2-one is Cc1c(C)c(C)c([C@H]2CNC(=O)N2)c(C)c1C.
What is the InChIKey of (4S)-4-(2,3,4,5,6-pentamethylphenyl)imidazolidin-2-one?
The InChIKey is BWOCOELMQFEZIG-GFCCVEGCSA-N. The full InChI is InChI=1S/C14H20N2O/c1-7-8(2)10(4)13(11(5)9(7)3)12-6-15-14(17)16-12/h12H,6H2,1-5H3,(H2,15,16,17)/t12-/m1/s1.
What are the key properties of (4S)-4-(2,3,4,5,6-pentamethylphenyl)imidazolidin-2-one?
(4S)-4-(2,3,4,5,6-pentamethylphenyl)imidazolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.58, 1 rotatable bonds, 2 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-4-(2,3,4,5,6-pentamethylphenyl)imidazolidin-2-one is sourced from PubChem (CID 171252803), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).