1-(4-chlorophenyl)sulfonyl-2-methyl-4-piperazin-1-ylbenzimidazole

C18H19ClN4O2S — CID 46204683

IUPAC1-(4-chlorophenyl)sulfonyl-2-methyl-4-piperazin-1-ylbenzimidazole
SMILESCc1nc2c(N3CCNCC3)cccc2n1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN4O2S/c1-13-21-18-16(22-11-9-20-10-12-22)3-2-4-17(18)23(13)26(24,25)15-7-5-14(19)6-8-15/h2-8,20H,9-12H2,1H3
InChIKeyCUZZIJXKZHRGSK-UHFFFAOYSA-N
MW390.90 g/mol
LogP2.64
Rot. Bonds3

About 1-(4-chlorophenyl)sulfonyl-2-methyl-4-piperazin-1-ylbenzimidazole

1-(4-chlorophenyl)sulfonyl-2-methyl-4-piperazin-1-ylbenzimidazole (PubChem CID 46204683) has the molecular formula C18H19ClN4O2S and a molecular weight of 390.90 g/mol. Its IUPAC name is 1-(4-chlorophenyl)sulfonyl-2-methyl-4-piperazin-1-ylbenzimidazole.

Molecular Properties

Compound Name1-(4-chlorophenyl)sulfonyl-2-methyl-4-piperazin-1-ylbenzimidazole
PubChem CID46204683
Molecular FormulaC18H19ClN4O2S
Molecular Weight390.90 g/mol
Exact Mass390.09
IUPAC Name1-(4-chlorophenyl)sulfonyl-2-methyl-4-piperazin-1-ylbenzimidazole
SMILESCc1nc2c(N3CCNCC3)cccc2n1S(=O)(=O)c1ccc(Cl)cc1
InChIInChI=1S/C18H19ClN4O2S/c1-13-21-18-16(22-11-9-20-10-12-22)3-2-4-17(18)23(13)26(24,25)15-7-5-14(19)6-8-15/h2-8,20H,9-12H2,1H3
InChIKeyCUZZIJXKZHRGSK-UHFFFAOYSA-N
XLogP2.64
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500390.90
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-methyl-4-piperazin-1-ylbenzimidazole?
The IUPAC name of 1-(4-chlorophenyl)sulfonyl-2-methyl-4-piperazin-1-ylbenzimidazole (CID 46204683) is 1-(4-chlorophenyl)sulfonyl-2-methyl-4-piperazin-1-ylbenzimidazole.
What is the SMILES notation for 1-(4-chlorophenyl)sulfonyl-2-methyl-4-piperazin-1-ylbenzimidazole?
The canonical SMILES for 1-(4-chlorophenyl)sulfonyl-2-methyl-4-piperazin-1-ylbenzimidazole is Cc1nc2c(N3CCNCC3)cccc2n1S(=O)(=O)c1ccc(Cl)cc1.
What is the InChIKey of 1-(4-chlorophenyl)sulfonyl-2-methyl-4-piperazin-1-ylbenzimidazole?
The InChIKey is CUZZIJXKZHRGSK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19ClN4O2S/c1-13-21-18-16(22-11-9-20-10-12-22)3-2-4-17(18)23(13)26(24,25)15-7-5-14(19)6-8-15/h2-8,20H,9-12H2,1H3.
What are the key properties of 1-(4-chlorophenyl)sulfonyl-2-methyl-4-piperazin-1-ylbenzimidazole?
1-(4-chlorophenyl)sulfonyl-2-methyl-4-piperazin-1-ylbenzimidazole has a molecular weight of 390.90 g/mol, XLogP of 2.64, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-chlorophenyl)sulfonyl-2-methyl-4-piperazin-1-ylbenzimidazole is sourced from PubChem (CID 46204683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).