2-[3-[5-(3-methylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]phenyl]-1,2-thiazolidine 1,1-dioxide

C24H21N5O2S — CID 157391502

IUPAC2-[3-[5-(3-methylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]phenyl]-1,2-thiazolidine 1,1-dioxide
SMILESCn1cnc2ccc(C3=CCc4ncc(-c5cccc(N6CCCS6(=O)=O)c5)nc43)cc21
InChIInChI=1S/C24H21N5O2S/c1-28-15-26-20-8-6-16(13-23(20)28)19-7-9-21-24(19)27-22(14-25-21)17-4-2-5-18(12-17)29-10-3-11-32(29,30)31/h2,4-8,12-15H,3,9-11H2,1H3
InChIKeyBMBGVNPCPZHXAT-UHFFFAOYSA-N
MW443.53 g/mol
LogP3.56
Rot. Bonds3

About 2-[3-[5-(3-methylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]phenyl]-1,2-thiazolidine 1,1-dioxide

2-[3-[5-(3-methylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]phenyl]-1,2-thiazolidine 1,1-dioxide (PubChem CID 157391502) has the molecular formula C24H21N5O2S and a molecular weight of 443.53 g/mol. Its IUPAC name is 2-[3-[5-(3-methylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]phenyl]-1,2-thiazolidine 1,1-dioxide.

Molecular Properties

Compound Name2-[3-[5-(3-methylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]phenyl]-1,2-thiazolidine 1,1-dioxide
PubChem CID157391502
Molecular FormulaC24H21N5O2S
Molecular Weight443.53 g/mol
Exact Mass443.14
IUPAC Name2-[3-[5-(3-methylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]phenyl]-1,2-thiazolidine 1,1-dioxide
SMILESCn1cnc2ccc(C3=CCc4ncc(-c5cccc(N6CCCS6(=O)=O)c5)nc43)cc21
InChIInChI=1S/C24H21N5O2S/c1-28-15-26-20-8-6-16(13-23(20)28)19-7-9-21-24(19)27-22(14-25-21)17-4-2-5-18(12-17)29-10-3-11-32(29,30)31/h2,4-8,12-15H,3,9-11H2,1H3
InChIKeyBMBGVNPCPZHXAT-UHFFFAOYSA-N
XLogP3.56
TPSA80.98 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.53
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

5-(3-methylbenzimidazol-5-yl)-3-(3-pyrrolidin-1-ylsulfonylphenyl)-7H-cyclopenta[b]pyrazine
CID 158947619
3-[3-(4-ethylpiperazin-1-yl)phenyl]-5-(3-piperidin-3-ylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazine
CID 158280611
2-[6-[3-(2-methoxy-4-pyridinyl)-7H-cyclopenta[b]pyrazin-5-yl]benzimidazol-1-yl]-2-methylpropan-1-ol
CID 159490358
1-methyl-6-phenylbenzimidazole
CID 135028518
N-methyl-N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]methanesulfonamide
CID 122608983
ethane;2-(3-methylphenyl)-1,2-thiazolidine 1,1-dioxide
CID 166090798
2-[4-[7-(3-piperidin-3-ylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]-2-pyridinyl]-1,2-thiazolidine 1,1-dioxide
CID 122670212
1-methyl-6-(6-triphenylen-2-yl-2-pyridinyl)benzimidazole
CID 118490686
N-[3-[7-(3-methylbenzimidazol-5-yl)-5H-pyrrolo[2,3-b]pyrazin-2-yl]phenyl]propane-1-sulfonamide
CID 122609020
7-(3-tert-butylbenzimidazol-5-yl)-2-(3-piperidin-1-ylphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 122608955
N-[4-(3,4-dimethylphenyl)-1,3-thiazol-2-yl]-3-(1,1-dioxo-1,2-thiazolidin-2-yl)benzamide
CID 18229524
6,7-dichloro-N-[[3-(1,1-dioxo-1,2-thiazolidin-2-yl)phenyl]methyl]quinoxalin-2-amine
CID 133471803

Frequently Asked Questions

What is the IUPAC name of 2-[3-[5-(3-methylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]phenyl]-1,2-thiazolidine 1,1-dioxide?
The IUPAC name of 2-[3-[5-(3-methylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]phenyl]-1,2-thiazolidine 1,1-dioxide (CID 157391502) is 2-[3-[5-(3-methylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]phenyl]-1,2-thiazolidine 1,1-dioxide.
What is the SMILES notation for 2-[3-[5-(3-methylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]phenyl]-1,2-thiazolidine 1,1-dioxide?
The canonical SMILES for 2-[3-[5-(3-methylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]phenyl]-1,2-thiazolidine 1,1-dioxide is Cn1cnc2ccc(C3=CCc4ncc(-c5cccc(N6CCCS6(=O)=O)c5)nc43)cc21.
What is the InChIKey of 2-[3-[5-(3-methylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]phenyl]-1,2-thiazolidine 1,1-dioxide?
The InChIKey is BMBGVNPCPZHXAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N5O2S/c1-28-15-26-20-8-6-16(13-23(20)28)19-7-9-21-24(19)27-22(14-25-21)17-4-2-5-18(12-17)29-10-3-11-32(29,30)31/h2,4-8,12-15H,3,9-11H2,1H3.
What are the key properties of 2-[3-[5-(3-methylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]phenyl]-1,2-thiazolidine 1,1-dioxide?
2-[3-[5-(3-methylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]phenyl]-1,2-thiazolidine 1,1-dioxide has a molecular weight of 443.53 g/mol, XLogP of 3.56, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-[5-(3-methylbenzimidazol-5-yl)-7H-cyclopenta[b]pyrazin-3-yl]phenyl]-1,2-thiazolidine 1,1-dioxide is sourced from PubChem (CID 157391502), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).