5-(4-acetylpiperazin-1-yl)-4-chloro-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one

C18H19ClN6O2 — CID 7692971

IUPAC5-(4-acetylpiperazin-1-yl)-4-chloro-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one
SMILESCC(=O)N1CCN(c2cnn(-c3nc4ccccc4n3C)c(=O)c2Cl)CC1
InChIInChI=1S/C18H19ClN6O2/c1-12(26)23-7-9-24(10-8-23)15-11-20-25(17(27)16(15)19)18-21-13-5-3-4-6-14(13)22(18)2/h3-6,11H,7-10H2,1-2H3
InChIKeyYPGAZVWYAPCNJE-UHFFFAOYSA-N
MW386.84 g/mol
LogP1.44
Rot. Bonds2

About 5-(4-acetylpiperazin-1-yl)-4-chloro-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one

5-(4-acetylpiperazin-1-yl)-4-chloro-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one (PubChem CID 7692971) has the molecular formula C18H19ClN6O2 and a molecular weight of 386.84 g/mol. Its IUPAC name is 5-(4-acetylpiperazin-1-yl)-4-chloro-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one.

Molecular Properties

Compound Name5-(4-acetylpiperazin-1-yl)-4-chloro-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one
PubChem CID7692971
Molecular FormulaC18H19ClN6O2
Molecular Weight386.84 g/mol
Exact Mass386.13
IUPAC Name5-(4-acetylpiperazin-1-yl)-4-chloro-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one
SMILESCC(=O)N1CCN(c2cnn(-c3nc4ccccc4n3C)c(=O)c2Cl)CC1
InChIInChI=1S/C18H19ClN6O2/c1-12(26)23-7-9-24(10-8-23)15-11-20-25(17(27)16(15)19)18-21-13-5-3-4-6-14(13)22(18)2/h3-6,11H,7-10H2,1-2H3
InChIKeyYPGAZVWYAPCNJE-UHFFFAOYSA-N
XLogP1.44
TPSA76.26 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.84
LogP ≤ 51.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 5-(4-acetylpiperazin-1-yl)-4-chloro-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-(4-acetylpiperazin-1-yl)-4-chloro-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one?
The IUPAC name of 5-(4-acetylpiperazin-1-yl)-4-chloro-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one (CID 7692971) is 5-(4-acetylpiperazin-1-yl)-4-chloro-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one.
What is the SMILES notation for 5-(4-acetylpiperazin-1-yl)-4-chloro-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one?
The canonical SMILES for 5-(4-acetylpiperazin-1-yl)-4-chloro-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one is CC(=O)N1CCN(c2cnn(-c3nc4ccccc4n3C)c(=O)c2Cl)CC1.
What is the InChIKey of 5-(4-acetylpiperazin-1-yl)-4-chloro-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one?
The InChIKey is YPGAZVWYAPCNJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN6O2/c1-12(26)23-7-9-24(10-8-23)15-11-20-25(17(27)16(15)19)18-21-13-5-3-4-6-14(13)22(18)2/h3-6,11H,7-10H2,1-2H3.
What are the key properties of 5-(4-acetylpiperazin-1-yl)-4-chloro-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one?
5-(4-acetylpiperazin-1-yl)-4-chloro-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one has a molecular weight of 386.84 g/mol, XLogP of 1.44, 2 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-acetylpiperazin-1-yl)-4-chloro-2-(1-methylbenzimidazol-2-yl)pyridazin-3-one is sourced from PubChem (CID 7692971), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).