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

C23H29ClN6O — CID 11123077

IUPAC2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-imidazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2ccnc2)nn1CCCCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C23H29ClN6O/c24-20-7-3-4-8-21(20)28-17-15-27(16-18-28)12-5-1-2-6-13-30-23(31)10-9-22(26-30)29-14-11-25-19-29/h3-4,7-11,14,19H,1-2,5-6,12-13,15-18H2
InChIKeyQTZVQJWECQHFRT-UHFFFAOYSA-N
MW440.98 g/mol
LogP3.46
Rot. Bonds9

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

2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-imidazol-1-ylpyridazin-3-one (PubChem CID 11123077) has the molecular formula C23H29ClN6O and a molecular weight of 440.98 g/mol. Its IUPAC name is 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-imidazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-imidazol-1-ylpyridazin-3-one
PubChem CID11123077
Molecular FormulaC23H29ClN6O
Molecular Weight440.98 g/mol
Exact Mass440.21
IUPAC Name2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-imidazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2ccnc2)nn1CCCCCCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C23H29ClN6O/c24-20-7-3-4-8-21(20)28-17-15-27(16-18-28)12-5-1-2-6-13-30-23(31)10-9-22(26-30)29-14-11-25-19-29/h3-4,7-11,14,19H,1-2,5-6,12-13,15-18H2
InChIKeyQTZVQJWECQHFRT-UHFFFAOYSA-N
XLogP3.46
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds9
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500440.98
LogP ≤ 53.46
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-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-imidazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-imidazol-1-ylpyridazin-3-one (CID 11123077) is 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-imidazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-imidazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-imidazol-1-ylpyridazin-3-one is O=c1ccc(-n2ccnc2)nn1CCCCCCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-imidazol-1-ylpyridazin-3-one?
The InChIKey is QTZVQJWECQHFRT-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H29ClN6O/c24-20-7-3-4-8-21(20)28-17-15-27(16-18-28)12-5-1-2-6-13-30-23(31)10-9-22(26-30)29-14-11-25-19-29/h3-4,7-11,14,19H,1-2,5-6,12-13,15-18H2.
What are the key properties of 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-imidazol-1-ylpyridazin-3-one?
2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-imidazol-1-ylpyridazin-3-one has a molecular weight of 440.98 g/mol, XLogP of 3.46, 9 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-[4-(2-chlorophenyl)piperazin-1-yl]hexyl]-6-imidazol-1-ylpyridazin-3-one is sourced from PubChem (CID 11123077), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).