1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one

C16H12BrF3N2O — CID 126696733

IUPAC1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(c2ccc(Br)c(F)c2)CC1c1ccc(F)cc1F
InChIInChI=1S/C16H12BrF3N2O/c1-21-15(11-4-2-9(18)6-13(11)19)8-22(16(21)23)10-3-5-12(17)14(20)7-10/h2-7,15H,8H2,1H3
InChIKeyKIZLUVLKWHVUFH-UHFFFAOYSA-N
MW385.18 g/mol
LogP4.48
Rot. Bonds2

About 1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one

1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one (PubChem CID 126696733) has the molecular formula C16H12BrF3N2O and a molecular weight of 385.18 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one
PubChem CID126696733
Molecular FormulaC16H12BrF3N2O
Molecular Weight385.18 g/mol
Exact Mass384.01
IUPAC Name1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(c2ccc(Br)c(F)c2)CC1c1ccc(F)cc1F
InChIInChI=1S/C16H12BrF3N2O/c1-21-15(11-4-2-9(18)6-13(11)19)8-22(16(21)23)10-3-5-12(17)14(20)7-10/h2-7,15H,8H2,1H3
InChIKeyKIZLUVLKWHVUFH-UHFFFAOYSA-N
XLogP4.48
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.18
LogP ≤ 54.48
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one (CID 126696733) is 1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one is CN1C(=O)N(c2ccc(Br)c(F)c2)CC1c1ccc(F)cc1F.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one?
The InChIKey is KIZLUVLKWHVUFH-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3N2O/c1-21-15(11-4-2-9(18)6-13(11)19)8-22(16(21)23)10-3-5-12(17)14(20)7-10/h2-7,15H,8H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one?
1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one has a molecular weight of 385.18 g/mol, XLogP of 4.48, 2 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromo-3-fluorophenyl)-4-(2,4-difluorophenyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 126696733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).