5-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one

C17H20N6O3S — CID 146146706

IUPAC5-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1cnc(C)c(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)n1
InChIInChI=1S/C17H20N6O3S/c1-11-10-18-12(2)16(19-11)22-5-7-23(8-6-22)27(25,26)13-3-4-14-15(9-13)21-17(24)20-14/h3-4,9-10H,5-8H2,1-2H3,(H2,20,21,24)
InChIKeyVPTIGARMJPFKEK-UHFFFAOYSA-N
MW388.45 g/mol
LogP0.77
Rot. Bonds3

About 5-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one

5-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one (PubChem CID 146146706) has the molecular formula C17H20N6O3S and a molecular weight of 388.45 g/mol. Its IUPAC name is 5-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one.

Molecular Properties

Compound Name5-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
PubChem CID146146706
Molecular FormulaC17H20N6O3S
Molecular Weight388.45 g/mol
Exact Mass388.13
IUPAC Name5-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
SMILESCc1cnc(C)c(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)n1
InChIInChI=1S/C17H20N6O3S/c1-11-10-18-12(2)16(19-11)22-5-7-23(8-6-22)27(25,26)13-3-4-14-15(9-13)21-17(24)20-14/h3-4,9-10H,5-8H2,1-2H3,(H2,20,21,24)
InChIKeyVPTIGARMJPFKEK-UHFFFAOYSA-N
XLogP0.77
TPSA115.05 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.45
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

6-methyl-2-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 146125555
2,6-dimethyl-4-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carbonitrile
CID 133396526
5-chloro-6-[4-[(2-oxo-1,3-dihydrobenzimidazol-5-yl)sulfonyl]piperazin-1-yl]pyridine-3-carboxamide
CID 56585060
5-[4-(2,5-dimethylphenyl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 18524431
5-[4-(6-chloro-2-cyclopropylpyrimidin-4-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 133432444
6-[4-(3-methylquinoxalin-2-yl)piperazin-1-yl]sulfonyl-3H-1,3-benzoxazol-2-one
CID 108782939
5-[4-(4-chlorophenyl)sulfonylpiperazin-1-yl]-1,3-dihydrobenzimidazol-2-one
CID 110642503
1-(3,6-dimethylpyrazin-2-yl)-4-methylsulfonyl-1,4-diazepane
CID 165435361
6-[4-(1,3-thiazol-2-yl)piperazin-1-yl]sulfonyl-1,4-dihydroquinoxaline-2,3-dione
CID 24627168
5-[[(4aR,8aS)-3,4,4a,5,6,7,8,8a-octahydro-1H-isoquinolin-2-yl]sulfonyl]-1,3-dihydrobenzimidazol-2-one
CID 11933540
5-[4-[(4-fluorophenyl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 110398734
5-[4-[(5-chloroquinolin-8-yl)methyl]piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one
CID 60505532

Frequently Asked Questions

What is the IUPAC name of 5-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
The IUPAC name of 5-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one (CID 146146706) is 5-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one.
What is the SMILES notation for 5-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
The canonical SMILES for 5-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one is Cc1cnc(C)c(N2CCN(S(=O)(=O)c3ccc4[nH]c(=O)[nH]c4c3)CC2)n1.
What is the InChIKey of 5-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
The InChIKey is VPTIGARMJPFKEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6O3S/c1-11-10-18-12(2)16(19-11)22-5-7-23(8-6-22)27(25,26)13-3-4-14-15(9-13)21-17(24)20-14/h3-4,9-10H,5-8H2,1-2H3,(H2,20,21,24).
What are the key properties of 5-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one?
5-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one has a molecular weight of 388.45 g/mol, XLogP of 0.77, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4-(3,6-dimethylpyrazin-2-yl)piperazin-1-yl]sulfonyl-1,3-dihydrobenzimidazol-2-one is sourced from PubChem (CID 146146706), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).