(5R)-4-benzyl-1,5-dimethylimidazolidin-2-one

C12H16N2O — CID 155214736

IUPAC(5R)-4-benzyl-1,5-dimethylimidazolidin-2-one
SMILESC[C@@H]1C(Cc2ccccc2)NC(=O)N1C
InChIInChI=1S/C12H16N2O/c1-9-11(13-12(15)14(9)2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,15)/t9-,11?/m1/s1
InChIKeyXJQVRKWFLGNYGT-BFHBGLAWSA-N
MW204.27 g/mol
LogP1.64
Rot. Bonds2

About (5R)-4-benzyl-1,5-dimethylimidazolidin-2-one

(5R)-4-benzyl-1,5-dimethylimidazolidin-2-one (PubChem CID 155214736) has the molecular formula C12H16N2O and a molecular weight of 204.27 g/mol. Its IUPAC name is (5R)-4-benzyl-1,5-dimethylimidazolidin-2-one.

Molecular Properties

Compound Name(5R)-4-benzyl-1,5-dimethylimidazolidin-2-one
PubChem CID155214736
Molecular FormulaC12H16N2O
Molecular Weight204.27 g/mol
Exact Mass204.13
IUPAC Name(5R)-4-benzyl-1,5-dimethylimidazolidin-2-one
SMILESC[C@@H]1C(Cc2ccccc2)NC(=O)N1C
InChIInChI=1S/C12H16N2O/c1-9-11(13-12(15)14(9)2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,15)/t9-,11?/m1/s1
InChIKeyXJQVRKWFLGNYGT-BFHBGLAWSA-N
XLogP1.64
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500204.27
LogP ≤ 51.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of (5R)-4-benzyl-1,5-dimethylimidazolidin-2-one?
The IUPAC name of (5R)-4-benzyl-1,5-dimethylimidazolidin-2-one (CID 155214736) is (5R)-4-benzyl-1,5-dimethylimidazolidin-2-one.
What is the SMILES notation for (5R)-4-benzyl-1,5-dimethylimidazolidin-2-one?
The canonical SMILES for (5R)-4-benzyl-1,5-dimethylimidazolidin-2-one is C[C@@H]1C(Cc2ccccc2)NC(=O)N1C.
What is the InChIKey of (5R)-4-benzyl-1,5-dimethylimidazolidin-2-one?
The InChIKey is XJQVRKWFLGNYGT-BFHBGLAWSA-N. The full InChI is InChI=1S/C12H16N2O/c1-9-11(13-12(15)14(9)2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3,(H,13,15)/t9-,11?/m1/s1.
What are the key properties of (5R)-4-benzyl-1,5-dimethylimidazolidin-2-one?
(5R)-4-benzyl-1,5-dimethylimidazolidin-2-one has a molecular weight of 204.27 g/mol, XLogP of 1.64, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for (5R)-4-benzyl-1,5-dimethylimidazolidin-2-one is sourced from PubChem (CID 155214736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).