2-[5-[4-(2-chlorophenyl)piperazin-1-yl]pentyl]-6-imidazol-1-ylpyridazin-3-one

C22H27ClN6O — CID 11080449

IUPAC2-[5-[4-(2-chlorophenyl)piperazin-1-yl]pentyl]-6-imidazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2ccnc2)nn1CCCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C22H27ClN6O/c23-19-6-2-3-7-20(19)27-16-14-26(15-17-27)11-4-1-5-12-29-22(30)9-8-21(25-29)28-13-10-24-18-28/h2-3,6-10,13,18H,1,4-5,11-12,14-17H2
InChIKeyUAKCDLRPPIWZSK-UHFFFAOYSA-N
MW426.95 g/mol
LogP3.07
Rot. Bonds8

About 2-[5-[4-(2-chlorophenyl)piperazin-1-yl]pentyl]-6-imidazol-1-ylpyridazin-3-one

2-[5-[4-(2-chlorophenyl)piperazin-1-yl]pentyl]-6-imidazol-1-ylpyridazin-3-one (PubChem CID 11080449) has the molecular formula C22H27ClN6O and a molecular weight of 426.95 g/mol. Its IUPAC name is 2-[5-[4-(2-chlorophenyl)piperazin-1-yl]pentyl]-6-imidazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[5-[4-(2-chlorophenyl)piperazin-1-yl]pentyl]-6-imidazol-1-ylpyridazin-3-one
PubChem CID11080449
Molecular FormulaC22H27ClN6O
Molecular Weight426.95 g/mol
Exact Mass426.19
IUPAC Name2-[5-[4-(2-chlorophenyl)piperazin-1-yl]pentyl]-6-imidazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2ccnc2)nn1CCCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C22H27ClN6O/c23-19-6-2-3-7-20(19)27-16-14-26(15-17-27)11-4-1-5-12-29-22(30)9-8-21(25-29)28-13-10-24-18-28/h2-3,6-10,13,18H,1,4-5,11-12,14-17H2
InChIKeyUAKCDLRPPIWZSK-UHFFFAOYSA-N
XLogP3.07
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.95
LogP ≤ 53.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-[5-[4-(2-chlorophenyl)piperazin-1-yl]pentyl]-6-imidazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[5-[4-(2-chlorophenyl)piperazin-1-yl]pentyl]-6-imidazol-1-ylpyridazin-3-one (CID 11080449) is 2-[5-[4-(2-chlorophenyl)piperazin-1-yl]pentyl]-6-imidazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[5-[4-(2-chlorophenyl)piperazin-1-yl]pentyl]-6-imidazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[5-[4-(2-chlorophenyl)piperazin-1-yl]pentyl]-6-imidazol-1-ylpyridazin-3-one is O=c1ccc(-n2ccnc2)nn1CCCCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[5-[4-(2-chlorophenyl)piperazin-1-yl]pentyl]-6-imidazol-1-ylpyridazin-3-one?
The InChIKey is UAKCDLRPPIWZSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H27ClN6O/c23-19-6-2-3-7-20(19)27-16-14-26(15-17-27)11-4-1-5-12-29-22(30)9-8-21(25-29)28-13-10-24-18-28/h2-3,6-10,13,18H,1,4-5,11-12,14-17H2.
What are the key properties of 2-[5-[4-(2-chlorophenyl)piperazin-1-yl]pentyl]-6-imidazol-1-ylpyridazin-3-one?
2-[5-[4-(2-chlorophenyl)piperazin-1-yl]pentyl]-6-imidazol-1-ylpyridazin-3-one has a molecular weight of 426.95 g/mol, XLogP of 3.07, 8 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[5-[4-(2-chlorophenyl)piperazin-1-yl]pentyl]-6-imidazol-1-ylpyridazin-3-one is sourced from PubChem (CID 11080449), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).