1-(benzenesulfonyl)-2-methyl-4-[(3S)-3-methylpiperazin-1-yl]benzimidazole

C19H22N4O2S — CID 46206303

IUPAC1-(benzenesulfonyl)-2-methyl-4-[(3S)-3-methylpiperazin-1-yl]benzimidazole
SMILESCc1nc2c(N3CCN[C@@H](C)C3)cccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22N4O2S/c1-14-13-22(12-11-20-14)17-9-6-10-18-19(17)21-15(2)23(18)26(24,25)16-7-4-3-5-8-16/h3-10,14,20H,11-13H2,1-2H3/t14-/m0/s1
InChIKeyREPZNMMRJYSEJD-AWEZNQCLSA-N
MW370.48 g/mol
LogP2.38
Rot. Bonds3

About 1-(benzenesulfonyl)-2-methyl-4-[(3S)-3-methylpiperazin-1-yl]benzimidazole

1-(benzenesulfonyl)-2-methyl-4-[(3S)-3-methylpiperazin-1-yl]benzimidazole (PubChem CID 46206303) has the molecular formula C19H22N4O2S and a molecular weight of 370.48 g/mol. Its IUPAC name is 1-(benzenesulfonyl)-2-methyl-4-[(3S)-3-methylpiperazin-1-yl]benzimidazole.

Molecular Properties

Compound Name1-(benzenesulfonyl)-2-methyl-4-[(3S)-3-methylpiperazin-1-yl]benzimidazole
PubChem CID46206303
Molecular FormulaC19H22N4O2S
Molecular Weight370.48 g/mol
Exact Mass370.15
IUPAC Name1-(benzenesulfonyl)-2-methyl-4-[(3S)-3-methylpiperazin-1-yl]benzimidazole
SMILESCc1nc2c(N3CCN[C@@H](C)C3)cccc2n1S(=O)(=O)c1ccccc1
InChIInChI=1S/C19H22N4O2S/c1-14-13-22(12-11-20-14)17-9-6-10-18-19(17)21-15(2)23(18)26(24,25)16-7-4-3-5-8-16/h3-10,14,20H,11-13H2,1-2H3/t14-/m0/s1
InChIKeyREPZNMMRJYSEJD-AWEZNQCLSA-N
XLogP2.38
TPSA67.23 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.48
LogP ≤ 52.38
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-(benzenesulfonyl)-2-methyl-4-[(3S)-3-methylpiperazin-1-yl]benzimidazole?
The IUPAC name of 1-(benzenesulfonyl)-2-methyl-4-[(3S)-3-methylpiperazin-1-yl]benzimidazole (CID 46206303) is 1-(benzenesulfonyl)-2-methyl-4-[(3S)-3-methylpiperazin-1-yl]benzimidazole.
What is the SMILES notation for 1-(benzenesulfonyl)-2-methyl-4-[(3S)-3-methylpiperazin-1-yl]benzimidazole?
The canonical SMILES for 1-(benzenesulfonyl)-2-methyl-4-[(3S)-3-methylpiperazin-1-yl]benzimidazole is Cc1nc2c(N3CCN[C@@H](C)C3)cccc2n1S(=O)(=O)c1ccccc1.
What is the InChIKey of 1-(benzenesulfonyl)-2-methyl-4-[(3S)-3-methylpiperazin-1-yl]benzimidazole?
The InChIKey is REPZNMMRJYSEJD-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H22N4O2S/c1-14-13-22(12-11-20-14)17-9-6-10-18-19(17)21-15(2)23(18)26(24,25)16-7-4-3-5-8-16/h3-10,14,20H,11-13H2,1-2H3/t14-/m0/s1.
What are the key properties of 1-(benzenesulfonyl)-2-methyl-4-[(3S)-3-methylpiperazin-1-yl]benzimidazole?
1-(benzenesulfonyl)-2-methyl-4-[(3S)-3-methylpiperazin-1-yl]benzimidazole has a molecular weight of 370.48 g/mol, XLogP of 2.38, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(benzenesulfonyl)-2-methyl-4-[(3S)-3-methylpiperazin-1-yl]benzimidazole is sourced from PubChem (CID 46206303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).