1-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzimidazole

C19H22N4O2S — CID 16812383

IUPAC1-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzimidazole
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4n3C)CC2)cc1
InChIInChI=1S/C19H22N4O2S/c1-15-7-9-16(10-8-15)26(24,25)23-13-11-22(12-14-23)19-20-17-5-3-4-6-18(17)21(19)2/h3-10H,11-14H2,1-2H3
InChIKeyMJAWTINWYQSAHV-UHFFFAOYSA-N
MW370.48 g/mol
LogP2.39
Rot. Bonds3

About 1-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzimidazole

1-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzimidazole (PubChem CID 16812383) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzimidazole.

Molecular Properties

Compound Name1-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzimidazole
PubChem CID16812383
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name1-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzimidazole
SMILESCc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4n3C)CC2)cc1
InChIInChI=1S/C19H22N4O2S/c1-15-7-9-16(10-8-15)26(24,25)23-13-11-22(12-14-23)19-20-17-5-3-4-6-18(17)21(19)2/h3-10H,11-14H2,1-2H3
InChIKeyMJAWTINWYQSAHV-UHFFFAOYSA-N
XLogP2.39
TPSA58.44 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.39
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzimidazole?
The IUPAC name of 1-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzimidazole (CID 16812383) is 1-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzimidazole.
What is the SMILES notation for 1-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzimidazole?
The canonical SMILES for 1-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzimidazole is Cc1ccc(S(=O)(=O)N2CCN(c3nc4ccccc4n3C)CC2)cc1.
What is the InChIKey of 1-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzimidazole?
The InChIKey is MJAWTINWYQSAHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-15-7-9-16(10-8-15)26(24,25)23-13-11-22(12-14-23)19-20-17-5-3-4-6-18(17)21(19)2/h3-10H,11-14H2,1-2H3.
What are the key properties of 1-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzimidazole?
1-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzimidazole has a molecular weight of 370.48 g/mol, XLogP of 2.39, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-methyl-2-[4-(4-methylphenyl)sulfonylpiperazin-1-yl]benzimidazole is sourced from PubChem (CID 16812383), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).