1-(3-chloro-4-fluorophenyl)-3-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one

C16H12Cl2F2N2O — CID 4266316

IUPAC1-(3-chloro-4-fluorophenyl)-3-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one
SMILESO=C1N(Cc2ccc(F)cc2Cl)CCN1c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H12Cl2F2N2O/c17-13-7-11(19)2-1-10(13)9-21-5-6-22(16(21)23)12-3-4-15(20)14(18)8-12/h1-4,7-8H,5-6,9H2
InChIKeyXKJPNEOXIGPZIQ-UHFFFAOYSA-N
MW357.19 g/mol
LogP4.71
Rot. Bonds3

About 1-(3-chloro-4-fluorophenyl)-3-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one

1-(3-chloro-4-fluorophenyl)-3-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one (PubChem CID 4266316) has the molecular formula C16H12Cl2F2N2O and a molecular weight of 357.19 g/mol. Its IUPAC name is 1-(3-chloro-4-fluorophenyl)-3-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-chloro-4-fluorophenyl)-3-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one
PubChem CID4266316
Molecular FormulaC16H12Cl2F2N2O
Molecular Weight357.19 g/mol
Exact Mass356.03
IUPAC Name1-(3-chloro-4-fluorophenyl)-3-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one
SMILESO=C1N(Cc2ccc(F)cc2Cl)CCN1c1ccc(F)c(Cl)c1
InChIInChI=1S/C16H12Cl2F2N2O/c17-13-7-11(19)2-1-10(13)9-21-5-6-22(16(21)23)12-3-4-15(20)14(18)8-12/h1-4,7-8H,5-6,9H2
InChIKeyXKJPNEOXIGPZIQ-UHFFFAOYSA-N
XLogP4.71
TPSA23.55 Ų
H-Bond Donors
H-Bond Acceptors1
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.19
LogP ≤ 54.71
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-(3-chloro-4-fluorophenyl)-3-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one (CID 4266316) is 1-(3-chloro-4-fluorophenyl)-3-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-(3-chloro-4-fluorophenyl)-3-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-(3-chloro-4-fluorophenyl)-3-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one is O=C1N(Cc2ccc(F)cc2Cl)CCN1c1ccc(F)c(Cl)c1.
What is the InChIKey of 1-(3-chloro-4-fluorophenyl)-3-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one?
The InChIKey is XKJPNEOXIGPZIQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H12Cl2F2N2O/c17-13-7-11(19)2-1-10(13)9-21-5-6-22(16(21)23)12-3-4-15(20)14(18)8-12/h1-4,7-8H,5-6,9H2.
What are the key properties of 1-(3-chloro-4-fluorophenyl)-3-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one?
1-(3-chloro-4-fluorophenyl)-3-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one has a molecular weight of 357.19 g/mol, XLogP of 4.71, 3 rotatable bonds, 0 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-4-fluorophenyl)-3-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 4266316), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).