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

C16H12BrF3N2O — CID 126696805

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

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

1-(4-bromo-3-fluorophenyl)-4-(3,4-difluorophenyl)-3-methylimidazolidin-2-one (PubChem CID 126696805) has the molecular formula C16H12BrF3N2O and a molecular weight of 385.18 g/mol. Its IUPAC name is 1-(4-bromo-3-fluorophenyl)-4-(3,4-difluorophenyl)-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-(4-bromo-3-fluorophenyl)-4-(3,4-difluorophenyl)-3-methylimidazolidin-2-one
PubChem CID126696805
Molecular FormulaC16H12BrF3N2O
Molecular Weight385.18 g/mol
Exact Mass384.01
IUPAC Name1-(4-bromo-3-fluorophenyl)-4-(3,4-difluorophenyl)-3-methylimidazolidin-2-one
SMILESCN1C(=O)N(c2ccc(Br)c(F)c2)CC1c1ccc(F)c(F)c1
InChIInChI=1S/C16H12BrF3N2O/c1-21-15(9-2-5-12(18)14(20)6-9)8-22(16(21)23)10-3-4-11(17)13(19)7-10/h2-7,15H,8H2,1H3
InChIKeyAQGSELVYNNLPTQ-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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Related Compounds

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CID 10199387
1-(2-bromophenyl)-3-[(3R)-1-(3-fluoro-4-methylphenyl)pyrrolidin-3-yl]urea
CID 10222094
1-(2-Bromophenyl)-3-{2-[ethyl(3-fluoro-4-methylphenyl)amino]ethyl}urea
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1-(2-bromophenyl)-3-[2-(4-fluoro-2,3-dihydro-1H-indol-1-yl)ethyl]urea
CID 10215835
1-(2-bromophenyl)-3-[2-(5-fluoro-2,3-dihydro-1H-indol-1-yl)ethyl]urea
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1-(2-bromophenyl)-3-[(3S)-1-(3-methylphenyl)pyrrolidin-3-yl]urea
CID 10292768
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CID 4205196
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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromo-3-fluorophenyl)-4-(3,4-difluorophenyl)-3-methylimidazolidin-2-one?
The IUPAC name of 1-(4-bromo-3-fluorophenyl)-4-(3,4-difluorophenyl)-3-methylimidazolidin-2-one (CID 126696805) is 1-(4-bromo-3-fluorophenyl)-4-(3,4-difluorophenyl)-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-(4-bromo-3-fluorophenyl)-4-(3,4-difluorophenyl)-3-methylimidazolidin-2-one?
The canonical SMILES for 1-(4-bromo-3-fluorophenyl)-4-(3,4-difluorophenyl)-3-methylimidazolidin-2-one is CN1C(=O)N(c2ccc(Br)c(F)c2)CC1c1ccc(F)c(F)c1.
What is the InChIKey of 1-(4-bromo-3-fluorophenyl)-4-(3,4-difluorophenyl)-3-methylimidazolidin-2-one?
The InChIKey is AQGSELVYNNLPTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12BrF3N2O/c1-21-15(9-2-5-12(18)14(20)6-9)8-22(16(21)23)10-3-4-11(17)13(19)7-10/h2-7,15H,8H2,1H3.
What are the key properties of 1-(4-bromo-3-fluorophenyl)-4-(3,4-difluorophenyl)-3-methylimidazolidin-2-one?
1-(4-bromo-3-fluorophenyl)-4-(3,4-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-(3,4-difluorophenyl)-3-methylimidazolidin-2-one is sourced from PubChem (CID 126696805), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).