(E)-1-[1-(1-methylimidazol-2-yl)sulfonyl-2-phenylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine

C24H26N6O2S — CID 73347610

IUPAC(E)-1-[1-(1-methylimidazol-2-yl)sulfonyl-2-phenylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine
SMILESCN1CCN(/N=C/c2c(-c3ccccc3)n(S(=O)(=O)c3nccn3C)c3ccccc23)CC1
InChIInChI=1S/C24H26N6O2S/c1-27-14-16-29(17-15-27)26-18-21-20-10-6-7-11-22(20)30(23(21)19-8-4-3-5-9-19)33(31,32)24-25-12-13-28(24)2/h3-13,18H,14-17H2,1-2H3/b26-18+
InChIKeyJYGZYVXCQNPUHD-NLRVBDNBSA-N
MW462.58 g/mol
LogP2.86
Rot. Bonds5

About (E)-1-[1-(1-methylimidazol-2-yl)sulfonyl-2-phenylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine

(E)-1-[1-(1-methylimidazol-2-yl)sulfonyl-2-phenylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine (PubChem CID 73347610) has the molecular formula C24H26N6O2S and a molecular weight of 462.58 g/mol. Its IUPAC name is (E)-1-[1-(1-methylimidazol-2-yl)sulfonyl-2-phenylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine.

Molecular Properties

Compound Name(E)-1-[1-(1-methylimidazol-2-yl)sulfonyl-2-phenylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine
PubChem CID73347610
Molecular FormulaC24H26N6O2S
Molecular Weight462.58 g/mol
Exact Mass462.18
IUPAC Name(E)-1-[1-(1-methylimidazol-2-yl)sulfonyl-2-phenylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine
SMILESCN1CCN(/N=C/c2c(-c3ccccc3)n(S(=O)(=O)c3nccn3C)c3ccccc23)CC1
InChIInChI=1S/C24H26N6O2S/c1-27-14-16-29(17-15-27)26-18-21-20-10-6-7-11-22(20)30(23(21)19-8-4-3-5-9-19)33(31,32)24-25-12-13-28(24)2/h3-13,18H,14-17H2,1-2H3/b26-18+
InChIKeyJYGZYVXCQNPUHD-NLRVBDNBSA-N
XLogP2.86
TPSA75.73 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500462.58
LogP ≤ 52.86
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hzone_pipzn(79)', 'substructure': 'N/A'}, {'alert_name': 'imine_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (E)-1-[1-(1-methylimidazol-2-yl)sulfonyl-2-phenylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine?
The IUPAC name of (E)-1-[1-(1-methylimidazol-2-yl)sulfonyl-2-phenylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine (CID 73347610) is (E)-1-[1-(1-methylimidazol-2-yl)sulfonyl-2-phenylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine.
What is the SMILES notation for (E)-1-[1-(1-methylimidazol-2-yl)sulfonyl-2-phenylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine?
The canonical SMILES for (E)-1-[1-(1-methylimidazol-2-yl)sulfonyl-2-phenylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine is CN1CCN(/N=C/c2c(-c3ccccc3)n(S(=O)(=O)c3nccn3C)c3ccccc23)CC1.
What is the InChIKey of (E)-1-[1-(1-methylimidazol-2-yl)sulfonyl-2-phenylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine?
The InChIKey is JYGZYVXCQNPUHD-NLRVBDNBSA-N. The full InChI is InChI=1S/C24H26N6O2S/c1-27-14-16-29(17-15-27)26-18-21-20-10-6-7-11-22(20)30(23(21)19-8-4-3-5-9-19)33(31,32)24-25-12-13-28(24)2/h3-13,18H,14-17H2,1-2H3/b26-18+.
What are the key properties of (E)-1-[1-(1-methylimidazol-2-yl)sulfonyl-2-phenylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine?
(E)-1-[1-(1-methylimidazol-2-yl)sulfonyl-2-phenylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine has a molecular weight of 462.58 g/mol, XLogP of 2.86, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for (E)-1-[1-(1-methylimidazol-2-yl)sulfonyl-2-phenylindol-3-yl]-N-(4-methylpiperazin-1-yl)methanimine is sourced from PubChem (CID 73347610), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).