(2S,5S)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one

C16H18N2O2 — CID 11303220

IUPAC(2S,5S)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one
SMILESCc1ccc([C@H]2N[C@@H](Cc3ccccc3)C(=O)N2C)o1
InChIInChI=1S/C16H18N2O2/c1-11-8-9-14(20-11)15-17-13(16(19)18(15)2)10-12-6-4-3-5-7-12/h3-9,13,15,17H,10H2,1-2H3/t13-,15-/m0/s1
InChIKeyIQIMPHPFMHVWBZ-ZFWWWQNUSA-N
MW270.33 g/mol
LogP2.26
Rot. Bonds3

About (2S,5S)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one

(2S,5S)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one (PubChem CID 11303220) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is (2S,5S)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one.

Molecular Properties

Compound Name(2S,5S)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one
PubChem CID11303220
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name(2S,5S)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one
SMILESCc1ccc([C@H]2N[C@@H](Cc3ccccc3)C(=O)N2C)o1
InChIInChI=1S/C16H18N2O2/c1-11-8-9-14(20-11)15-17-13(16(19)18(15)2)10-12-6-4-3-5-7-12/h3-9,13,15,17H,10H2,1-2H3/t13-,15-/m0/s1
InChIKeyIQIMPHPFMHVWBZ-ZFWWWQNUSA-N
XLogP2.26
TPSA45.48 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N-(2-Furylmethyl)benzamide
CID 236716
Furan-2-carboxamide deriv., 17
CID 44236903
N-{2-Furan-2-yl-1-[(furan-2-ylmethyl)-carbamoyl]-vinyl}-benzamide
CID 5755140
N-[2-Furan-2-yl-1-(pyrrolidine-1-carbonyl)-vinyl]-benzamide
CID 5765235
(E)-3-[5-[[benzyl(propyl)amino]methyl]furan-2-yl]-N-hydroxyprop-2-enamide
CID 71769926
N-[2-(5-methyl-2-furyl)-1-({[2-(4-morpholinyl)ethyl]amino}carbonyl)vinyl]benzamide
CID 5292081
1-[(N-acetylglycyl)(2-furylmethyl)amino]-N-cyclohexylcyclohexanecarboxamide
CID 3240475
N-(furan-2-ylmethylcarbamothioyl)-3-phenylpropanamide
CID 1253159
N~1~-{3-[(2-Furylmethyl)amino]-3-oxopropyl}-4-methylbenzamide
CID 2978176
N-[2-oxo-2-(1-phenylethylamino)ethyl]furan-2-carboxamide
CID 4561126
2-(2,4-dioxo-1,3-diazaspiro[4.4]nonan-3-yl)-N-(furan-2-ylmethyl)-N-methylacetamide
CID 4790928
2-Acetylamino-N-benzyl-3-(5-methyl-furan-2-yl)-acrylamide
CID 5771217

Frequently Asked Questions

What is the IUPAC name of (2S,5S)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one?
The IUPAC name of (2S,5S)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one (CID 11303220) is (2S,5S)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one.
What is the SMILES notation for (2S,5S)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one?
The canonical SMILES for (2S,5S)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one is Cc1ccc([C@H]2N[C@@H](Cc3ccccc3)C(=O)N2C)o1.
What is the InChIKey of (2S,5S)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one?
The InChIKey is IQIMPHPFMHVWBZ-ZFWWWQNUSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-11-8-9-14(20-11)15-17-13(16(19)18(15)2)10-12-6-4-3-5-7-12/h3-9,13,15,17H,10H2,1-2H3/t13-,15-/m0/s1.
What are the key properties of (2S,5S)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one?
(2S,5S)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one has a molecular weight of 270.33 g/mol, XLogP of 2.26, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S,5S)-5-benzyl-3-methyl-2-(5-methylfuran-2-yl)imidazolidin-4-one is sourced from PubChem (CID 11303220), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).