3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one

C19H14ClIN4O2 — CID 87671627

IUPAC3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
SMILESO=C1N(I)CC(c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClIN4O2/c20-14-4-6-15(7-5-14)25-17(12-24(21)19(25)26)13-2-1-3-16(10-13)27-18-11-22-8-9-23-18/h1-11,17H,12H2
InChIKeyMWRUXBTYYWPSRN-UHFFFAOYSA-N
MW492.70 g/mol
LogP5.26
Rot. Bonds4

About 3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one

3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one (PubChem CID 87671627) has the molecular formula C19H14ClIN4O2 and a molecular weight of 492.70 g/mol. Its IUPAC name is 3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one.

Molecular Properties

Compound Name3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
PubChem CID87671627
Molecular FormulaC19H14ClIN4O2
Molecular Weight492.70 g/mol
Exact Mass491.99
IUPAC Name3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one
SMILESO=C1N(I)CC(c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1
InChIInChI=1S/C19H14ClIN4O2/c20-14-4-6-15(7-5-14)25-17(12-24(21)19(25)26)13-2-1-3-16(10-13)27-18-11-22-8-9-23-18/h1-11,17H,12H2
InChIKeyMWRUXBTYYWPSRN-UHFFFAOYSA-N
XLogP5.26
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500492.70
LogP ≤ 55.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}, {'alert_name': 'N-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one?
The IUPAC name of 3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one (CID 87671627) is 3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one.
What is the SMILES notation for 3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one?
The canonical SMILES for 3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one is O=C1N(I)CC(c2cccc(Oc3cnccn3)c2)N1c1ccc(Cl)cc1.
What is the InChIKey of 3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one?
The InChIKey is MWRUXBTYYWPSRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H14ClIN4O2/c20-14-4-6-15(7-5-14)25-17(12-24(21)19(25)26)13-2-1-3-16(10-13)27-18-11-22-8-9-23-18/h1-11,17H,12H2.
What are the key properties of 3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one?
3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one has a molecular weight of 492.70 g/mol, XLogP of 5.26, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)-1-iodo-4-(3-pyrazin-2-yloxyphenyl)imidazolidin-2-one is sourced from PubChem (CID 87671627), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).