1-(5-chloronaphthalen-1-yl)sulfonyl-4-piperazin-1-ylbenzimidazole

C21H19ClN4O2S — CID 46204995

IUPAC1-(5-chloronaphthalen-1-yl)sulfonyl-4-piperazin-1-ylbenzimidazole
SMILESO=S(=O)(c1cccc2c(Cl)cccc12)n1cnc2c(N3CCNCC3)cccc21
InChIInChI=1S/C21H19ClN4O2S/c22-17-6-1-5-16-15(17)4-2-9-20(16)29(27,28)26-14-24-21-18(7-3-8-19(21)26)25-12-10-23-11-13-25/h1-9,14,23H,10-13H2
InChIKeyFNZUMYPTQWHABK-UHFFFAOYSA-N
MW426.93 g/mol
LogP3.49
Rot. Bonds3

About 1-(5-chloronaphthalen-1-yl)sulfonyl-4-piperazin-1-ylbenzimidazole

1-(5-chloronaphthalen-1-yl)sulfonyl-4-piperazin-1-ylbenzimidazole (PubChem CID 46204995) has the molecular formula C21H19ClN4O2S and a molecular weight of 426.93 g/mol. Its IUPAC name is 1-(5-chloronaphthalen-1-yl)sulfonyl-4-piperazin-1-ylbenzimidazole.

Molecular Properties

Compound Name1-(5-chloronaphthalen-1-yl)sulfonyl-4-piperazin-1-ylbenzimidazole
PubChem CID46204995
Molecular FormulaC21H19ClN4O2S
Molecular Weight426.93 g/mol
Exact Mass426.09
IUPAC Name1-(5-chloronaphthalen-1-yl)sulfonyl-4-piperazin-1-ylbenzimidazole
SMILESO=S(=O)(c1cccc2c(Cl)cccc12)n1cnc2c(N3CCNCC3)cccc21
InChIInChI=1S/C21H19ClN4O2S/c22-17-6-1-5-16-15(17)4-2-9-20(16)29(27,28)26-14-24-21-18(7-3-8-19(21)26)25-12-10-23-11-13-25/h1-9,14,23H,10-13H2
InChIKeyFNZUMYPTQWHABK-UHFFFAOYSA-N
XLogP3.49
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.93
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(5-chloronaphthalen-1-yl)sulfonyl-4-piperazin-1-ylbenzimidazole?
The IUPAC name of 1-(5-chloronaphthalen-1-yl)sulfonyl-4-piperazin-1-ylbenzimidazole (CID 46204995) is 1-(5-chloronaphthalen-1-yl)sulfonyl-4-piperazin-1-ylbenzimidazole.
What is the SMILES notation for 1-(5-chloronaphthalen-1-yl)sulfonyl-4-piperazin-1-ylbenzimidazole?
The canonical SMILES for 1-(5-chloronaphthalen-1-yl)sulfonyl-4-piperazin-1-ylbenzimidazole is O=S(=O)(c1cccc2c(Cl)cccc12)n1cnc2c(N3CCNCC3)cccc21.
What is the InChIKey of 1-(5-chloronaphthalen-1-yl)sulfonyl-4-piperazin-1-ylbenzimidazole?
The InChIKey is FNZUMYPTQWHABK-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H19ClN4O2S/c22-17-6-1-5-16-15(17)4-2-9-20(16)29(27,28)26-14-24-21-18(7-3-8-19(21)26)25-12-10-23-11-13-25/h1-9,14,23H,10-13H2.
What are the key properties of 1-(5-chloronaphthalen-1-yl)sulfonyl-4-piperazin-1-ylbenzimidazole?
1-(5-chloronaphthalen-1-yl)sulfonyl-4-piperazin-1-ylbenzimidazole has a molecular weight of 426.93 g/mol, XLogP of 3.49, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-chloronaphthalen-1-yl)sulfonyl-4-piperazin-1-ylbenzimidazole is sourced from PubChem (CID 46204995), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).