Pf-05212377

C18H20N4O2S — CID 46203710

IUPAC1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylbenzimidazole
SMILESCC1=NC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC=C2N4CCNCC4
InChIInChI=1S/C18H20N4O2S/c1-14-20-18-16(21-12-10-19-11-13-21)8-5-9-17(18)22(14)25(23,24)15-6-3-2-4-7-15/h2-9,19H,10-13H2,1H3
InChIKeyMAYQIFVKVAUMPD-UHFFFAOYSA-N
MW356.40 g/mol
LogP2.50
Rot. Bonds3

About Pf-05212377

Pf-05212377 (PubChem CID 46203710) has the molecular formula C18H20N4O2S and a molecular weight of 356.40 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylbenzimidazole.

Molecular Properties

Compound NamePf-05212377
PubChem CID46203710
Molecular FormulaC18H20N4O2S
Molecular Weight356.40 g/mol
Exact Mass356.13
IUPAC Name1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylbenzimidazole
SMILESCC1=NC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC=C2N4CCNCC4
InChIInChI=1S/C18H20N4O2S/c1-14-20-18-16(21-12-10-19-11-13-21)8-5-9-17(18)22(14)25(23,24)15-6-3-2-4-7-15/h2-9,19H,10-13H2,1H3
InChIKeyMAYQIFVKVAUMPD-UHFFFAOYSA-N
XLogP2.50
TPSA75.60 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity552

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500356.40
LogP ≤ 52.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of Pf-05212377?
The IUPAC name of Pf-05212377 (CID 46203710) is 1-(benzenesulfonyl)-2-methyl-4-piperazin-1-ylbenzimidazole.
What is the SMILES notation for Pf-05212377?
The canonical SMILES for Pf-05212377 is CC1=NC2=C(N1S(=O)(=O)C3=CC=CC=C3)C=CC=C2N4CCNCC4.
What is the InChIKey of Pf-05212377?
The InChIKey is MAYQIFVKVAUMPD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O2S/c1-14-20-18-16(21-12-10-19-11-13-21)8-5-9-17(18)22(14)25(23,24)15-6-3-2-4-7-15/h2-9,19H,10-13H2,1H3.
What are the key properties of Pf-05212377?
Pf-05212377 has a molecular weight of 356.40 g/mol, XLogP of 2.50, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for Pf-05212377 is sourced from PubChem (CID 46203710), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).