1-(benzenesulfonyl)-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine

C22H21N5O2S — CID 162665888

IUPAC1-(benzenesulfonyl)-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
SMILESO=S(=O)(c1ccccc1)n1c(-c2ccccc2)nc2c(N3CCNCC3)nccc21
InChIInChI=1S/C22H21N5O2S/c28-30(29,18-9-5-2-6-10-18)27-19-11-12-24-22(26-15-13-23-14-16-26)20(19)25-21(27)17-7-3-1-4-8-17/h1-12,23H,13-16H2
InChIKeyCFXLBGUBAFSNJX-UHFFFAOYSA-N
MW419.51 g/mol
LogP2.74
Rot. Bonds4

About 1-(benzenesulfonyl)-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine

1-(benzenesulfonyl)-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine (PubChem CID 162665888) has the molecular formula C22H21N5O2S and a molecular weight of 419.51 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
PubChem CID162665888
Molecular FormulaC22H21N5O2S
Molecular Weight419.51 g/mol
Exact Mass419.14
IUPAC Name1-(benzenesulfonyl)-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine
SMILESO=S(=O)(c1ccccc1)n1c(-c2ccccc2)nc2c(N3CCNCC3)nccc21
InChIInChI=1S/C22H21N5O2S/c28-30(29,18-9-5-2-6-10-18)27-19-11-12-24-22(26-15-13-23-14-16-26)20(19)25-21(27)17-7-3-1-4-8-17/h1-12,23H,13-16H2
InChIKeyCFXLBGUBAFSNJX-UHFFFAOYSA-N
XLogP2.74
TPSA80.12 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.51
LogP ≤ 52.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The IUPAC name of 1-(benzenesulfonyl)-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine (CID 162665888) is 1-(benzenesulfonyl)-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 1-(benzenesulfonyl)-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 1-(benzenesulfonyl)-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine is O=S(=O)(c1ccccc1)n1c(-c2ccccc2)nc2c(N3CCNCC3)nccc21.
What is the InChIKey of 1-(benzenesulfonyl)-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
The InChIKey is CFXLBGUBAFSNJX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H21N5O2S/c28-30(29,18-9-5-2-6-10-18)27-19-11-12-24-22(26-15-13-23-14-16-26)20(19)25-21(27)17-7-3-1-4-8-17/h1-12,23H,13-16H2.
What are the key properties of 1-(benzenesulfonyl)-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine?
1-(benzenesulfonyl)-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine has a molecular weight of 419.51 g/mol, XLogP of 2.74, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-phenyl-4-piperazin-1-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 162665888), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).