4-chloro-2-phenyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridazin-3-one

C24H22ClN5O — CID 133430779

IUPAC4-chloro-2-phenyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCCC(c3ncc(-c4ccccc4)[nH]3)C2)cnn1-c1ccccc1
InChIInChI=1S/C24H22ClN5O/c25-22-21(15-27-30(24(22)31)19-11-5-2-6-12-19)29-13-7-10-18(16-29)23-26-14-20(28-23)17-8-3-1-4-9-17/h1-6,8-9,11-12,14-15,18H,7,10,13,16H2,(H,26,28)
InChIKeyJYDISEOSLRWFEH-UHFFFAOYSA-N
MW431.93 g/mol
LogP4.66
Rot. Bonds4

About 4-chloro-2-phenyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridazin-3-one

4-chloro-2-phenyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridazin-3-one (PubChem CID 133430779) has the molecular formula C24H22ClN5O and a molecular weight of 431.93 g/mol. Its IUPAC name is 4-chloro-2-phenyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-phenyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridazin-3-one
PubChem CID133430779
Molecular FormulaC24H22ClN5O
Molecular Weight431.93 g/mol
Exact Mass431.15
IUPAC Name4-chloro-2-phenyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridazin-3-one
SMILESO=c1c(Cl)c(N2CCCC(c3ncc(-c4ccccc4)[nH]3)C2)cnn1-c1ccccc1
InChIInChI=1S/C24H22ClN5O/c25-22-21(15-27-30(24(22)31)19-11-5-2-6-12-19)29-13-7-10-18(16-29)23-26-14-20(28-23)17-8-3-1-4-9-17/h1-6,8-9,11-12,14-15,18H,7,10,13,16H2,(H,26,28)
InChIKeyJYDISEOSLRWFEH-UHFFFAOYSA-N
XLogP4.66
TPSA66.81 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.93
LogP ≤ 54.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-phenyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridazin-3-one?
The IUPAC name of 4-chloro-2-phenyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridazin-3-one (CID 133430779) is 4-chloro-2-phenyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridazin-3-one.
What is the SMILES notation for 4-chloro-2-phenyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridazin-3-one?
The canonical SMILES for 4-chloro-2-phenyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridazin-3-one is O=c1c(Cl)c(N2CCCC(c3ncc(-c4ccccc4)[nH]3)C2)cnn1-c1ccccc1.
What is the InChIKey of 4-chloro-2-phenyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridazin-3-one?
The InChIKey is JYDISEOSLRWFEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22ClN5O/c25-22-21(15-27-30(24(22)31)19-11-5-2-6-12-19)29-13-7-10-18(16-29)23-26-14-20(28-23)17-8-3-1-4-9-17/h1-6,8-9,11-12,14-15,18H,7,10,13,16H2,(H,26,28).
What are the key properties of 4-chloro-2-phenyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridazin-3-one?
4-chloro-2-phenyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridazin-3-one has a molecular weight of 431.93 g/mol, XLogP of 4.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-phenyl-5-[3-(5-phenyl-1H-imidazol-2-yl)piperidin-1-yl]pyridazin-3-one is sourced from PubChem (CID 133430779), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).