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Home > Imidazoles > 98897-31-5
98897-31-5 | 1-(2-Methylpropyl)-5-phenyl-2-imidazolidinone
CAS No: 98897-31-5 Catalog No: AG005TOI MDL No:
Product Description
Catalog Number:
AG005TOI
Chemical Name:
1-(2-Methylpropyl)-5-phenyl-2-imidazolidinone
CAS Number:
98897-31-5
Molecular Formula:
C13H18N2O
Molecular Weight:
218.2948
IUPAC Name:
1-(2-methylpropyl)-5-phenylimidazolidin-2-one
InChI:
InChI=1S/C13H18N2O/c1-10(2)9-15-12(8-14-13(15)16)11-6-4-3-5-7-11/h3-7,10,12H,8-9H2,1-2H3,(H,14,16)
InChI Key:
XMYJPBULCTUQQJ-UHFFFAOYSA-N
SMILES:
CC(CN1C(=O)NCC1c1ccccc1)C
Properties
Complexity:
246
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
218.142g/mol
Formal Charge:
0
Heavy Atom Count:
16
Hydrogen Bond Acceptor Count:
1
Hydrogen Bond Donor Count:
1
Isotope Atom Count:
0
Molecular Weight:
218.3g/mol
Monoisotopic Mass:
218.142g/mol
Rotatable Bond Count:
3
Topological Polar Surface Area:
32.3A^2
Undefined Atom Stereocenter Count:
1
Undefined Bond Stereocenter Count:
0
XLogP3:
2.2
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