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

C19H21ClN6O — CID 10861948

IUPAC2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-imidazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2ccnc2)nn1CCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H21ClN6O/c20-16-3-1-2-4-17(16)24-12-9-23(10-13-24)11-14-26-19(27)6-5-18(22-26)25-8-7-21-15-25/h1-8,15H,9-14H2
InChIKeyFFOZZAKIBYLGNB-UHFFFAOYSA-N
MW384.87 g/mol
LogP1.90
Rot. Bonds5

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

2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-imidazol-1-ylpyridazin-3-one (PubChem CID 10861948) has the molecular formula C19H21ClN6O and a molecular weight of 384.87 g/mol. Its IUPAC name is 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-imidazol-1-ylpyridazin-3-one.

Molecular Properties

Compound Name2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-imidazol-1-ylpyridazin-3-one
PubChem CID10861948
Molecular FormulaC19H21ClN6O
Molecular Weight384.87 g/mol
Exact Mass384.15
IUPAC Name2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-imidazol-1-ylpyridazin-3-one
SMILESO=c1ccc(-n2ccnc2)nn1CCN1CCN(c2ccccc2Cl)CC1
InChIInChI=1S/C19H21ClN6O/c20-16-3-1-2-4-17(16)24-12-9-23(10-13-24)11-14-26-19(27)6-5-18(22-26)25-8-7-21-15-25/h1-8,15H,9-14H2
InChIKeyFFOZZAKIBYLGNB-UHFFFAOYSA-N
XLogP1.90
TPSA59.19 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.87
LogP ≤ 51.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-imidazol-1-ylpyridazin-3-one?
The IUPAC name of 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-imidazol-1-ylpyridazin-3-one (CID 10861948) is 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-imidazol-1-ylpyridazin-3-one.
What is the SMILES notation for 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-imidazol-1-ylpyridazin-3-one?
The canonical SMILES for 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-imidazol-1-ylpyridazin-3-one is O=c1ccc(-n2ccnc2)nn1CCN1CCN(c2ccccc2Cl)CC1.
What is the InChIKey of 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-imidazol-1-ylpyridazin-3-one?
The InChIKey is FFOZZAKIBYLGNB-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H21ClN6O/c20-16-3-1-2-4-17(16)24-12-9-23(10-13-24)11-14-26-19(27)6-5-18(22-26)25-8-7-21-15-25/h1-8,15H,9-14H2.
What are the key properties of 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-imidazol-1-ylpyridazin-3-one?
2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-imidazol-1-ylpyridazin-3-one has a molecular weight of 384.87 g/mol, XLogP of 1.90, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[4-(2-chlorophenyl)piperazin-1-yl]ethyl]-6-imidazol-1-ylpyridazin-3-one is sourced from PubChem (CID 10861948), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).