(4R)-4-[(4-methylphenyl)methyl]-1-propan-2-ylimidazolidin-2-one

C14H20N2O — CID 176750514

IUPAC(4R)-4-[(4-methylphenyl)methyl]-1-propan-2-ylimidazolidin-2-one
SMILESCc1ccc(C[C@@H]2CN(C(C)C)C(=O)N2)cc1
InChIInChI=1S/C14H20N2O/c1-10(2)16-9-13(15-14(16)17)8-12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,15,17)/t13-/m1/s1
InChIKeyVKSCLTJTAOVVNU-CYBMUJFWSA-N
MW232.33 g/mol
LogP2.34
Rot. Bonds3

About (4R)-4-[(4-methylphenyl)methyl]-1-propan-2-ylimidazolidin-2-one

(4R)-4-[(4-methylphenyl)methyl]-1-propan-2-ylimidazolidin-2-one (PubChem CID 176750514) has the molecular formula C14H20N2O and a molecular weight of 232.33 g/mol. Its IUPAC name is (4R)-4-[(4-methylphenyl)methyl]-1-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name(4R)-4-[(4-methylphenyl)methyl]-1-propan-2-ylimidazolidin-2-one
PubChem CID176750514
Molecular FormulaC14H20N2O
Molecular Weight232.33 g/mol
Exact Mass232.16
IUPAC Name(4R)-4-[(4-methylphenyl)methyl]-1-propan-2-ylimidazolidin-2-one
SMILESCc1ccc(C[C@@H]2CN(C(C)C)C(=O)N2)cc1
InChIInChI=1S/C14H20N2O/c1-10(2)16-9-13(15-14(16)17)8-12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,15,17)/t13-/m1/s1
InChIKeyVKSCLTJTAOVVNU-CYBMUJFWSA-N
XLogP2.34
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500232.33
LogP ≤ 52.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (4R)-4-[(4-methylphenyl)methyl]-1-propan-2-ylimidazolidin-2-one?
The IUPAC name of (4R)-4-[(4-methylphenyl)methyl]-1-propan-2-ylimidazolidin-2-one (CID 176750514) is (4R)-4-[(4-methylphenyl)methyl]-1-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for (4R)-4-[(4-methylphenyl)methyl]-1-propan-2-ylimidazolidin-2-one?
The canonical SMILES for (4R)-4-[(4-methylphenyl)methyl]-1-propan-2-ylimidazolidin-2-one is Cc1ccc(C[C@@H]2CN(C(C)C)C(=O)N2)cc1.
What is the InChIKey of (4R)-4-[(4-methylphenyl)methyl]-1-propan-2-ylimidazolidin-2-one?
The InChIKey is VKSCLTJTAOVVNU-CYBMUJFWSA-N. The full InChI is InChI=1S/C14H20N2O/c1-10(2)16-9-13(15-14(16)17)8-12-6-4-11(3)5-7-12/h4-7,10,13H,8-9H2,1-3H3,(H,15,17)/t13-/m1/s1.
What are the key properties of (4R)-4-[(4-methylphenyl)methyl]-1-propan-2-ylimidazolidin-2-one?
(4R)-4-[(4-methylphenyl)methyl]-1-propan-2-ylimidazolidin-2-one has a molecular weight of 232.33 g/mol, XLogP of 2.34, 3 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (4R)-4-[(4-methylphenyl)methyl]-1-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 176750514), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).