5-[2-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylbenzimidazol-2-yl]pyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione

C23H25N7O8S2 — CID 42947905

IUPAC5-[2-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylbenzimidazol-2-yl]pyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(S(=O)(=O)N2CCCC2c2nc3ccccc3n2S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O
InChIInChI=1S/C23H25N7O8S2/c1-25-12-17(20(31)27(3)22(25)33)39(35,36)29-11-7-10-16(29)19-24-14-8-5-6-9-15(14)30(19)40(37,38)18-13-26(2)23(34)28(4)21(18)32/h5-6,8-9,12-13,16H,7,10-11H2,1-4H3
InChIKeyLHOQCJIKZVCBNL-UHFFFAOYSA-N
MW591.63 g/mol
LogP-1.41
Rot. Bonds5

About 5-[2-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylbenzimidazol-2-yl]pyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione

5-[2-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylbenzimidazol-2-yl]pyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 42947905) has the molecular formula C23H25N7O8S2 and a molecular weight of 591.63 g/mol. Its IUPAC name is 5-[2-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylbenzimidazol-2-yl]pyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-[2-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylbenzimidazol-2-yl]pyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
PubChem CID42947905
Molecular FormulaC23H25N7O8S2
Molecular Weight591.63 g/mol
Exact Mass591.12
IUPAC Name5-[2-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylbenzimidazol-2-yl]pyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1cc(S(=O)(=O)N2CCCC2c2nc3ccccc3n2S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O
InChIInChI=1S/C23H25N7O8S2/c1-25-12-17(20(31)27(3)22(25)33)39(35,36)29-11-7-10-16(29)19-24-14-8-5-6-9-15(14)30(19)40(37,38)18-13-26(2)23(34)28(4)21(18)32/h5-6,8-9,12-13,16H,7,10-11H2,1-4H3
InChIKeyLHOQCJIKZVCBNL-UHFFFAOYSA-N
XLogP-1.41
TPSA177.34 Ų
H-Bond Donors
H-Bond Acceptors14
Rotatable Bonds5
Heavy Atoms40
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500591.63
LogP ≤ 5-1.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1014

Analyze 5-[2-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylbenzimidazol-2-yl]pyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione with MolForge

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Related Compounds

5-[2-(1,3-benzothiazol-2-yl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 24511540
1-methyl-2-[(2S)-1-methylsulfonylpiperidin-2-yl]benzimidazole
CID 94179592
3-methyl-2-(1-methylsulfonylpyrrolidin-2-yl)quinazolin-4-one
CID 126949306
5-[2-(hydroxymethyl)piperidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 43574515
1-ethyl-2-[1-(2-ethylsulfonylethyl)pyrrolidin-2-yl]benzimidazole
CID 71974480
2-[(2S)-1-(3,4-dimethoxyphenyl)sulfonylpyrrolidin-2-yl]-1-propan-2-ylbenzimidazole
CID 95788619
5-[(3S)-3-hydroxypyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 79031036
6-[2-(3-methyl-4-oxoquinazolin-2-yl)pyrrolidin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 126949409
1-methyl-2-[1-[3-[2-(1-methylbenzimidazol-2-yl)pyrrolidin-1-yl]propyl]pyrrolidin-2-yl]benzimidazole
CID 167934115
5-[2-(3-chlorophenyl)piperazin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione
CID 120776788
1-methyl-2-[(2S)-1-(pyridin-2-ylmethyl)pyrrolidin-2-yl]benzimidazole
CID 95723533
2-[1-(1-methylimidazol-4-yl)sulfonylpyrrolidin-2-yl]-3H-quinazolin-4-one
CID 137209425

Frequently Asked Questions

What is the IUPAC name of 5-[2-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylbenzimidazol-2-yl]pyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-[2-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylbenzimidazol-2-yl]pyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione (CID 42947905) is 5-[2-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylbenzimidazol-2-yl]pyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-[2-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylbenzimidazol-2-yl]pyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-[2-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylbenzimidazol-2-yl]pyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione is Cn1cc(S(=O)(=O)N2CCCC2c2nc3ccccc3n2S(=O)(=O)c2cn(C)c(=O)n(C)c2=O)c(=O)n(C)c1=O.
What is the InChIKey of 5-[2-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylbenzimidazol-2-yl]pyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is LHOQCJIKZVCBNL-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N7O8S2/c1-25-12-17(20(31)27(3)22(25)33)39(35,36)29-11-7-10-16(29)19-24-14-8-5-6-9-15(14)30(19)40(37,38)18-13-26(2)23(34)28(4)21(18)32/h5-6,8-9,12-13,16H,7,10-11H2,1-4H3.
What are the key properties of 5-[2-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylbenzimidazol-2-yl]pyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione?
5-[2-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylbenzimidazol-2-yl]pyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 591.63 g/mol, XLogP of -1.41, 5 rotatable bonds, 0 hydrogen bond donors, and 14 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[1-(1,3-dimethyl-2,4-dioxopyrimidin-5-yl)sulfonylbenzimidazol-2-yl]pyrrolidin-1-yl]sulfonyl-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 42947905), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).