1-benzyl-5-(2-chloro-5-fluorophenyl)-5-propan-2-ylimidazolidin-2-one

C19H20ClFN2O — CID 68905448

IUPAC1-benzyl-5-(2-chloro-5-fluorophenyl)-5-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1(c2cc(F)ccc2Cl)CNC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20ClFN2O/c1-13(2)19(16-10-15(21)8-9-17(16)20)12-22-18(24)23(19)11-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,22,24)
InChIKeyOCLGBCYRBMUWTH-UHFFFAOYSA-N
MW346.83 g/mol
LogP4.56
Rot. Bonds4

About 1-benzyl-5-(2-chloro-5-fluorophenyl)-5-propan-2-ylimidazolidin-2-one

1-benzyl-5-(2-chloro-5-fluorophenyl)-5-propan-2-ylimidazolidin-2-one (PubChem CID 68905448) has the molecular formula C19H20ClFN2O and a molecular weight of 346.83 g/mol. Its IUPAC name is 1-benzyl-5-(2-chloro-5-fluorophenyl)-5-propan-2-ylimidazolidin-2-one.

Molecular Properties

Compound Name1-benzyl-5-(2-chloro-5-fluorophenyl)-5-propan-2-ylimidazolidin-2-one
PubChem CID68905448
Molecular FormulaC19H20ClFN2O
Molecular Weight346.83 g/mol
Exact Mass346.12
IUPAC Name1-benzyl-5-(2-chloro-5-fluorophenyl)-5-propan-2-ylimidazolidin-2-one
SMILESCC(C)C1(c2cc(F)ccc2Cl)CNC(=O)N1Cc1ccccc1
InChIInChI=1S/C19H20ClFN2O/c1-13(2)19(16-10-15(21)8-9-17(16)20)12-22-18(24)23(19)11-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,22,24)
InChIKeyOCLGBCYRBMUWTH-UHFFFAOYSA-N
XLogP4.56
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.83
LogP ≤ 54.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-benzyl-5-(2-chloro-5-fluorophenyl)-5-propan-2-ylimidazolidin-2-one?
The IUPAC name of 1-benzyl-5-(2-chloro-5-fluorophenyl)-5-propan-2-ylimidazolidin-2-one (CID 68905448) is 1-benzyl-5-(2-chloro-5-fluorophenyl)-5-propan-2-ylimidazolidin-2-one.
What is the SMILES notation for 1-benzyl-5-(2-chloro-5-fluorophenyl)-5-propan-2-ylimidazolidin-2-one?
The canonical SMILES for 1-benzyl-5-(2-chloro-5-fluorophenyl)-5-propan-2-ylimidazolidin-2-one is CC(C)C1(c2cc(F)ccc2Cl)CNC(=O)N1Cc1ccccc1.
What is the InChIKey of 1-benzyl-5-(2-chloro-5-fluorophenyl)-5-propan-2-ylimidazolidin-2-one?
The InChIKey is OCLGBCYRBMUWTH-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClFN2O/c1-13(2)19(16-10-15(21)8-9-17(16)20)12-22-18(24)23(19)11-14-6-4-3-5-7-14/h3-10,13H,11-12H2,1-2H3,(H,22,24).
What are the key properties of 1-benzyl-5-(2-chloro-5-fluorophenyl)-5-propan-2-ylimidazolidin-2-one?
1-benzyl-5-(2-chloro-5-fluorophenyl)-5-propan-2-ylimidazolidin-2-one has a molecular weight of 346.83 g/mol, XLogP of 4.56, 4 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-benzyl-5-(2-chloro-5-fluorophenyl)-5-propan-2-ylimidazolidin-2-one is sourced from PubChem (CID 68905448), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).