1-[2-chloro-4-[2-hydroxy-3-(6-piperazin-1-ylpyridazin-4-yl)phenyl]phenyl]-3-methylimidazolidin-2-one

C24H25ClN6O2 — CID 166166003

IUPAC1-[2-chloro-4-[2-hydroxy-3-(6-piperazin-1-ylpyridazin-4-yl)phenyl]phenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc(-c3cccc(-c4cnnc(N5CCNCC5)c4)c3O)cc2Cl)C1=O
InChIInChI=1S/C24H25ClN6O2/c1-29-11-12-31(24(29)33)21-6-5-16(13-20(21)25)18-3-2-4-19(23(18)32)17-14-22(28-27-15-17)30-9-7-26-8-10-30/h2-6,13-15,26,32H,7-12H2,1H3
InChIKeyRTPZDKIDWLAXPW-UHFFFAOYSA-N
MW464.96 g/mol
LogP3.45
Rot. Bonds4

About 1-[2-chloro-4-[2-hydroxy-3-(6-piperazin-1-ylpyridazin-4-yl)phenyl]phenyl]-3-methylimidazolidin-2-one

1-[2-chloro-4-[2-hydroxy-3-(6-piperazin-1-ylpyridazin-4-yl)phenyl]phenyl]-3-methylimidazolidin-2-one (PubChem CID 166166003) has the molecular formula C24H25ClN6O2 and a molecular weight of 464.96 g/mol. Its IUPAC name is 1-[2-chloro-4-[2-hydroxy-3-(6-piperazin-1-ylpyridazin-4-yl)phenyl]phenyl]-3-methylimidazolidin-2-one.

Molecular Properties

Compound Name1-[2-chloro-4-[2-hydroxy-3-(6-piperazin-1-ylpyridazin-4-yl)phenyl]phenyl]-3-methylimidazolidin-2-one
PubChem CID166166003
Molecular FormulaC24H25ClN6O2
Molecular Weight464.96 g/mol
Exact Mass464.17
IUPAC Name1-[2-chloro-4-[2-hydroxy-3-(6-piperazin-1-ylpyridazin-4-yl)phenyl]phenyl]-3-methylimidazolidin-2-one
SMILESCN1CCN(c2ccc(-c3cccc(-c4cnnc(N5CCNCC5)c4)c3O)cc2Cl)C1=O
InChIInChI=1S/C24H25ClN6O2/c1-29-11-12-31(24(29)33)21-6-5-16(13-20(21)25)18-3-2-4-19(23(18)32)17-14-22(28-27-15-17)30-9-7-26-8-10-30/h2-6,13-15,26,32H,7-12H2,1H3
InChIKeyRTPZDKIDWLAXPW-UHFFFAOYSA-N
XLogP3.45
TPSA84.83 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.96
LogP ≤ 53.45
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[2-chloro-4-[2-hydroxy-3-(6-piperazin-1-ylpyridazin-4-yl)phenyl]phenyl]-3-methylimidazolidin-2-one?
The IUPAC name of 1-[2-chloro-4-[2-hydroxy-3-(6-piperazin-1-ylpyridazin-4-yl)phenyl]phenyl]-3-methylimidazolidin-2-one (CID 166166003) is 1-[2-chloro-4-[2-hydroxy-3-(6-piperazin-1-ylpyridazin-4-yl)phenyl]phenyl]-3-methylimidazolidin-2-one.
What is the SMILES notation for 1-[2-chloro-4-[2-hydroxy-3-(6-piperazin-1-ylpyridazin-4-yl)phenyl]phenyl]-3-methylimidazolidin-2-one?
The canonical SMILES for 1-[2-chloro-4-[2-hydroxy-3-(6-piperazin-1-ylpyridazin-4-yl)phenyl]phenyl]-3-methylimidazolidin-2-one is CN1CCN(c2ccc(-c3cccc(-c4cnnc(N5CCNCC5)c4)c3O)cc2Cl)C1=O.
What is the InChIKey of 1-[2-chloro-4-[2-hydroxy-3-(6-piperazin-1-ylpyridazin-4-yl)phenyl]phenyl]-3-methylimidazolidin-2-one?
The InChIKey is RTPZDKIDWLAXPW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25ClN6O2/c1-29-11-12-31(24(29)33)21-6-5-16(13-20(21)25)18-3-2-4-19(23(18)32)17-14-22(28-27-15-17)30-9-7-26-8-10-30/h2-6,13-15,26,32H,7-12H2,1H3.
What are the key properties of 1-[2-chloro-4-[2-hydroxy-3-(6-piperazin-1-ylpyridazin-4-yl)phenyl]phenyl]-3-methylimidazolidin-2-one?
1-[2-chloro-4-[2-hydroxy-3-(6-piperazin-1-ylpyridazin-4-yl)phenyl]phenyl]-3-methylimidazolidin-2-one has a molecular weight of 464.96 g/mol, XLogP of 3.45, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-chloro-4-[2-hydroxy-3-(6-piperazin-1-ylpyridazin-4-yl)phenyl]phenyl]-3-methylimidazolidin-2-one is sourced from PubChem (CID 166166003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).