2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-imidazol-1-ylpyridazin-3-one

C20H23ClN6O — CID 10971357

IUPAC2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-imidazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2ccnc2)nn1CCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C20H23ClN6O/c21-17-4-1-2-5-18(17)25-14-12-24(13-15-25)9-3-10-27-20(28)7-6-19(23-27)26-11-8-22-16-26/h1-2,4-8,11,16H,3,9-10,12-15H2
InChIKeyJVEYNGGXRXIJIS-UHFFFAOYSA-N
MW398.90 g/mol
LogP2.29
Rot. Bonds6

About 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-imidazol-1-ylpyridazin-3-one

2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-imidazol-1-ylpyridazin-3-one (PubChem CID 10971357) has the molecular formula C20H23ClN6O and a molecular weight of 398.90 g/mol. Its IUPAC name is 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-imidazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-imidazol-1-ylpyridazin-3-one
PubChem CID10971357
Molecular FormulaC20H23ClN6O
Molecular Weight398.90 g/mol
Exact Mass398.16
IUPAC Name2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-imidazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2ccnc2)nn1CCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C20H23ClN6O/c21-17-4-1-2-5-18(17)25-14-12-24(13-15-25)9-3-10-27-20(28)7-6-19(23-27)26-11-8-22-16-26/h1-2,4-8,11,16H,3,9-10,12-15H2
InChIKeyJVEYNGGXRXIJIS-UHFFFAOYSA-N
XLogP2.29
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500398.90
LogP ≤ 52.29
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-imidazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-imidazol-1-ylpyridazin-3-one (CID 10971357) is 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-imidazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-imidazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-imidazol-1-ylpyridazin-3-one is O=c1ccc(-n2ccnc2)nn1CCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-imidazol-1-ylpyridazin-3-one?
The InChIKey is JVEYNGGXRXIJIS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23ClN6O/c21-17-4-1-2-5-18(17)25-14-12-24(13-15-25)9-3-10-27-20(28)7-6-19(23-27)26-11-8-22-16-26/h1-2,4-8,11,16H,3,9-10,12-15H2.
What are the key properties of 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-imidazol-1-ylpyridazin-3-one?
2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-imidazol-1-ylpyridazin-3-one has a molecular weight of 398.90 g/mol, XLogP of 2.29, 6 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[4-(2-chlorophenyl)piperazin-1-yl]propyl]-6-imidazol-1-ylpyridazin-3-one is sourced from PubChem (CID 10971357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).