(4R,5R)-1-benzyl-4-(2-hydroxyethyl)-5-methylimidazolidin-2-one

C13H18N2O2 — CID 24787335

IUPAC(4R,5R)-1-benzyl-4-(2-hydroxyethyl)-5-methylimidazolidin-2-one
SMILESC[C@@H]1[C@@H](CCO)NC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-10-12(7-8-16)14-13(17)15(10)9-11-5-3-2-4-6-11/h2-6,10,12,16H,7-9H2,1H3,(H,14,17)/t10-,12-/m1/s1
InChIKeyXVVMAOJWLNNQCI-ZYHUDNBSSA-N
MW234.30 g/mol
LogP1.35
Rot. Bonds4

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

(4R,5R)-1-benzyl-4-(2-hydroxyethyl)-5-methylimidazolidin-2-one (PubChem CID 24787335) has the molecular formula C13H18N2O2 and a molecular weight of 234.30 g/mol. Its IUPAC name is (4R,5R)-1-benzyl-4-(2-hydroxyethyl)-5-methylimidazolidin-2-one.

Molecular Properties

Compound Name(4R,5R)-1-benzyl-4-(2-hydroxyethyl)-5-methylimidazolidin-2-one
PubChem CID24787335
Molecular FormulaC13H18N2O2
Molecular Weight234.30 g/mol
Exact Mass234.14
IUPAC Name(4R,5R)-1-benzyl-4-(2-hydroxyethyl)-5-methylimidazolidin-2-one
SMILESC[C@@H]1[C@@H](CCO)NC(=O)N1Cc1ccccc1
InChIInChI=1S/C13H18N2O2/c1-10-12(7-8-16)14-13(17)15(10)9-11-5-3-2-4-6-11/h2-6,10,12,16H,7-9H2,1H3,(H,14,17)/t10-,12-/m1/s1
InChIKeyXVVMAOJWLNNQCI-ZYHUDNBSSA-N
XLogP1.35
TPSA52.57 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500234.30
LogP ≤ 51.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Related Compounds

(4S,5R)-1-benzyl-5-methyl-4-phenylimidazolidin-2-one
CID 131844665
(4R,5R,6R)-1-benzyl-5-hydroxy-4,6-bis(2-phenylethyl)-1,3-diazinan-2-one
CID 101209098
5-acetyl-1-benzyl-6-methyl-4-phenyl-1,3-diazinan-2-one
CID 73324809
1-benzyl-5-(2-hydroxyethyl)pyrrolidin-2-one
CID 115031392
3-benzyl-2-oxo-5-propan-2-ylimidazolidine-4-carboxylic acid
CID 66523901
1,3-dibenzyl-5-methyl-2-oxoimidazolidine-4-carboxylic acid
CID 20778181
methyl 1-(2-methoxyethyl)-6-methyl-2-oxo-4-(2-phenylethyl)-1,3-diazinane-5-carboxylate
CID 73324816
(3aR,6aR)-4-benzyl-3,3a,6,6a-tetrahydro-1H-imidazo[4,5-d]imidazole-2,5-dione
CID 99646895
(5R)-4-benzyl-1,5-dimethylimidazolidin-2-one
CID 155214736
(4aR,7aS)-1-benzyl-2-sulfanylidene-5,6,7,7a-tetrahydro-4aH-cyclopenta[d]pyrimidin-4-one
CID 10611381
(4R,5R)-3-benzyl-4-(hydroxymethyl)-5-methyl-1,3-oxazolidin-2-one
CID 146267205
2,4-dibenzyl-2,4-diazabicyclo[3.2.0]heptan-3-one
CID 86091539

Frequently Asked Questions

What is the IUPAC name of (4R,5R)-1-benzyl-4-(2-hydroxyethyl)-5-methylimidazolidin-2-one?
The IUPAC name of (4R,5R)-1-benzyl-4-(2-hydroxyethyl)-5-methylimidazolidin-2-one (CID 24787335) is (4R,5R)-1-benzyl-4-(2-hydroxyethyl)-5-methylimidazolidin-2-one.
What is the SMILES notation for (4R,5R)-1-benzyl-4-(2-hydroxyethyl)-5-methylimidazolidin-2-one?
The canonical SMILES for (4R,5R)-1-benzyl-4-(2-hydroxyethyl)-5-methylimidazolidin-2-one is C[C@@H]1[C@@H](CCO)NC(=O)N1Cc1ccccc1.
What is the InChIKey of (4R,5R)-1-benzyl-4-(2-hydroxyethyl)-5-methylimidazolidin-2-one?
The InChIKey is XVVMAOJWLNNQCI-ZYHUDNBSSA-N. The full InChI is InChI=1S/C13H18N2O2/c1-10-12(7-8-16)14-13(17)15(10)9-11-5-3-2-4-6-11/h2-6,10,12,16H,7-9H2,1H3,(H,14,17)/t10-,12-/m1/s1.
What are the key properties of (4R,5R)-1-benzyl-4-(2-hydroxyethyl)-5-methylimidazolidin-2-one?
(4R,5R)-1-benzyl-4-(2-hydroxyethyl)-5-methylimidazolidin-2-one has a molecular weight of 234.30 g/mol, XLogP of 1.35, 4 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (4R,5R)-1-benzyl-4-(2-hydroxyethyl)-5-methylimidazolidin-2-one is sourced from PubChem (CID 24787335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).