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

C15H13ClFN3O — CID 59636204

IUPAC1-(3-chloro-2-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
SMILESCc1ccncc1N1CCN(c2cccc(Cl)c2F)C1=O
InChIInChI=1S/C15H13ClFN3O/c1-10-5-6-18-9-13(10)20-8-7-19(15(20)21)12-4-2-3-11(16)14(12)17/h2-6,9H,7-8H2,1H3
InChIKeyOSAUEPXGUASKDP-UHFFFAOYSA-N
MW305.74 g/mol
LogP3.63
Rot. Bonds2

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

1-(3-chloro-2-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one (PubChem CID 59636204) has the molecular formula C15H13ClFN3O and a molecular weight of 305.74 g/mol. Its IUPAC name is 1-(3-chloro-2-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one.

Molecular Properties

Compound Name1-(3-chloro-2-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
PubChem CID59636204
Molecular FormulaC15H13ClFN3O
Molecular Weight305.74 g/mol
Exact Mass305.07
IUPAC Name1-(3-chloro-2-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one
SMILESCc1ccncc1N1CCN(c2cccc(Cl)c2F)C1=O
InChIInChI=1S/C15H13ClFN3O/c1-10-5-6-18-9-13(10)20-8-7-19(15(20)21)12-4-2-3-11(16)14(12)17/h2-6,9H,7-8H2,1H3
InChIKeyOSAUEPXGUASKDP-UHFFFAOYSA-N
XLogP3.63
TPSA36.44 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.74
LogP ≤ 53.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
The IUPAC name of 1-(3-chloro-2-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one (CID 59636204) is 1-(3-chloro-2-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one.
What is the SMILES notation for 1-(3-chloro-2-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
The canonical SMILES for 1-(3-chloro-2-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one is Cc1ccncc1N1CCN(c2cccc(Cl)c2F)C1=O.
What is the InChIKey of 1-(3-chloro-2-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
The InChIKey is OSAUEPXGUASKDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13ClFN3O/c1-10-5-6-18-9-13(10)20-8-7-19(15(20)21)12-4-2-3-11(16)14(12)17/h2-6,9H,7-8H2,1H3.
What are the key properties of 1-(3-chloro-2-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one?
1-(3-chloro-2-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one has a molecular weight of 305.74 g/mol, XLogP of 3.63, 2 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-chloro-2-fluorophenyl)-3-(4-methyl-3-pyridinyl)imidazolidin-2-one is sourced from PubChem (CID 59636204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).