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

C10H10ClFN2O — CID 5084028

IUPAC1-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one
SMILESO=C1NCCN1Cc1ccc(F)cc1Cl
InChIInChI=1S/C10H10ClFN2O/c11-9-5-8(12)2-1-7(9)6-14-4-3-13-10(14)15/h1-2,5H,3-4,6H2,(H,13,15)
InChIKeyAQHAQNMGQAYMMF-UHFFFAOYSA-N
MW228.65 g/mol
LogP2.00
Rot. Bonds2

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

1-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one (PubChem CID 5084028) has the molecular formula C10H10ClFN2O and a molecular weight of 228.65 g/mol. Its IUPAC name is 1-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one.

Molecular Properties

Compound Name1-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one
PubChem CID5084028
Molecular FormulaC10H10ClFN2O
Molecular Weight228.65 g/mol
Exact Mass228.05
IUPAC Name1-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one
SMILESO=C1NCCN1Cc1ccc(F)cc1Cl
InChIInChI=1S/C10H10ClFN2O/c11-9-5-8(12)2-1-7(9)6-14-4-3-13-10(14)15/h1-2,5H,3-4,6H2,(H,13,15)
InChIKeyAQHAQNMGQAYMMF-UHFFFAOYSA-N
XLogP2.00
TPSA32.34 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.65
LogP ≤ 52.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

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Frequently Asked Questions

What is the IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one?
The IUPAC name of 1-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one (CID 5084028) is 1-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one.
What is the SMILES notation for 1-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one?
The canonical SMILES for 1-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one is O=C1NCCN1Cc1ccc(F)cc1Cl.
What is the InChIKey of 1-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one?
The InChIKey is AQHAQNMGQAYMMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H10ClFN2O/c11-9-5-8(12)2-1-7(9)6-14-4-3-13-10(14)15/h1-2,5H,3-4,6H2,(H,13,15).
What are the key properties of 1-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one?
1-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one has a molecular weight of 228.65 g/mol, XLogP of 2.00, 2 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(2-chloro-4-fluorophenyl)methyl]imidazolidin-2-one is sourced from PubChem (CID 5084028), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).