3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine

C19H20ClN5O — CID 16732438

IUPAC3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine
SMILESCc1nccn1-c1ccc(N2CCC(Oc3ccccc3Cl)CC2)nn1
InChIInChI=1S/C19H20ClN5O/c1-14-21-10-13-25(14)19-7-6-18(22-23-19)24-11-8-15(9-12-24)26-17-5-3-2-4-16(17)20/h2-7,10,13,15H,8-9,11-12H2,1H3
InChIKeyFIVWPSODANAOPO-UHFFFAOYSA-N
MW369.86 g/mol
LogP3.67
Rot. Bonds4

About 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine

3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine (PubChem CID 16732438) has the molecular formula C19H20ClN5O and a molecular weight of 369.86 g/mol. Its IUPAC name is 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine.

Molecular Properties

Compound Name3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine
PubChem CID16732438
Molecular FormulaC19H20ClN5O
Molecular Weight369.86 g/mol
Exact Mass369.14
IUPAC Name3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine
SMILESCc1nccn1-c1ccc(N2CCC(Oc3ccccc3Cl)CC2)nn1
InChIInChI=1S/C19H20ClN5O/c1-14-21-10-13-25(14)19-7-6-18(22-23-19)24-11-8-15(9-12-24)26-17-5-3-2-4-16(17)20/h2-7,10,13,15H,8-9,11-12H2,1H3
InChIKeyFIVWPSODANAOPO-UHFFFAOYSA-N
XLogP3.67
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.86
LogP ≤ 53.67
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine?
The IUPAC name of 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine (CID 16732438) is 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine.
What is the SMILES notation for 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine?
The canonical SMILES for 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine is Cc1nccn1-c1ccc(N2CCC(Oc3ccccc3Cl)CC2)nn1.
What is the InChIKey of 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine?
The InChIKey is FIVWPSODANAOPO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H20ClN5O/c1-14-21-10-13-25(14)19-7-6-18(22-23-19)24-11-8-15(9-12-24)26-17-5-3-2-4-16(17)20/h2-7,10,13,15H,8-9,11-12H2,1H3.
What are the key properties of 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine?
3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine has a molecular weight of 369.86 g/mol, XLogP of 3.67, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4-(2-chlorophenoxy)piperidin-1-yl]-6-(2-methylimidazol-1-yl)pyridazine is sourced from PubChem (CID 16732438), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).