4-chloro-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one

C20H24ClN5O4S — CID 23517104

IUPAC4-chloro-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
SMILESCS(=O)(=O)CCCn1c(Cn2ncc(N3CCOCC3)c(Cl)c2=O)nc2ccccc21
InChIInChI=1S/C20H24ClN5O4S/c1-31(28,29)12-4-7-25-16-6-3-2-5-15(16)23-18(25)14-26-20(27)19(21)17(13-22-26)24-8-10-30-11-9-24/h2-3,5-6,13H,4,7-12,14H2,1H3
InChIKeyNNMLHUVOIKBZLF-UHFFFAOYSA-N
MW465.96 g/mol
LogP1.57
Rot. Bonds7

About 4-chloro-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one

4-chloro-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one (PubChem CID 23517104) has the molecular formula C20H24ClN5O4S and a molecular weight of 465.96 g/mol. Its IUPAC name is 4-chloro-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one.

Molecular Properties

Compound Name4-chloro-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
PubChem CID23517104
Molecular FormulaC20H24ClN5O4S
Molecular Weight465.96 g/mol
Exact Mass465.12
IUPAC Name4-chloro-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one
SMILESCS(=O)(=O)CCCn1c(Cn2ncc(N3CCOCC3)c(Cl)c2=O)nc2ccccc21
InChIInChI=1S/C20H24ClN5O4S/c1-31(28,29)12-4-7-25-16-6-3-2-5-15(16)23-18(25)14-26-20(27)19(21)17(13-22-26)24-8-10-30-11-9-24/h2-3,5-6,13H,4,7-12,14H2,1H3
InChIKeyNNMLHUVOIKBZLF-UHFFFAOYSA-N
XLogP1.57
TPSA99.32 Ų
H-Bond Donors
H-Bond Acceptors9
Rotatable Bonds7
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500465.96
LogP ≤ 51.57
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 109

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Related Compounds

3-iodo-1-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]indazole
CID 10278292
1-[[1-(2-methylsulfonylethyl)benzimidazol-2-yl]methyl]benzotriazole
CID 5272017
2-methyl-1-(3-methylsulfonylpropyl)benzimidazole
CID 79760730
4-[3-[2-(chloromethyl)benzimidazol-1-yl]propyl]morpholine
CID 43348277
2-(1,3-benzoxazol-2-yl)-4-chloro-5-morpholin-4-ylpyridazin-3-one
CID 22431522
2-benzyl-4-chloro-5-pyrrolidin-1-ylpyridazin-3-one
CID 779667
4-[[1-(3-phenylpropyl)benzimidazol-2-yl]methyl]morpholine
CID 16805688
1-[[5-chloro-1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-6-fluorospiro[indole-3,4'-oxane]-2-one
CID 90131615
1-methyl-3-morpholin-4-ylquinoxalin-2-one
CID 146169023
1-(3-ethylsulfonylpropyl)-2-propylbenzimidazole
CID 116626944
4-[[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]morpholine
CID 6494342
4-[(1-butylbenzimidazol-2-yl)methyl]morpholin-4-ium
CID 7366616

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one?
The IUPAC name of 4-chloro-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one (CID 23517104) is 4-chloro-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one.
What is the SMILES notation for 4-chloro-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one?
The canonical SMILES for 4-chloro-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one is CS(=O)(=O)CCCn1c(Cn2ncc(N3CCOCC3)c(Cl)c2=O)nc2ccccc21.
What is the InChIKey of 4-chloro-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one?
The InChIKey is NNMLHUVOIKBZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24ClN5O4S/c1-31(28,29)12-4-7-25-16-6-3-2-5-15(16)23-18(25)14-26-20(27)19(21)17(13-22-26)24-8-10-30-11-9-24/h2-3,5-6,13H,4,7-12,14H2,1H3.
What are the key properties of 4-chloro-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one?
4-chloro-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one has a molecular weight of 465.96 g/mol, XLogP of 1.57, 7 rotatable bonds, 0 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2-[[1-(3-methylsulfonylpropyl)benzimidazol-2-yl]methyl]-5-morpholin-4-ylpyridazin-3-one is sourced from PubChem (CID 23517104), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).