(1R)-6-bromo-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydroimidazo[1,2-a]benzimidazole

C22H18BrN3O2S — CID 138977098

IUPAC(1R)-6-bromo-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESCc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)n3c2nc2cc(Br)ccc23)cc1
InChIInChI=1S/C22H18BrN3O2S/c1-15-7-10-18(11-8-15)29(27,28)25-14-21(16-5-3-2-4-6-16)26-20-12-9-17(23)13-19(20)24-22(25)26/h2-13,21H,14H2,1H3/t21-/m0/s1
InChIKeyJQZHCBWXHOGNDD-NRFANRHFSA-N
MW468.38 g/mol
LogP4.91
Rot. Bonds3

About (1R)-6-bromo-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydroimidazo[1,2-a]benzimidazole

(1R)-6-bromo-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydroimidazo[1,2-a]benzimidazole (PubChem CID 138977098) has the molecular formula C22H18BrN3O2S and a molecular weight of 468.38 g/mol. Its IUPAC name is (1R)-6-bromo-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydroimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name(1R)-6-bromo-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydroimidazo[1,2-a]benzimidazole
PubChem CID138977098
Molecular FormulaC22H18BrN3O2S
Molecular Weight468.38 g/mol
Exact Mass467.03
IUPAC Name(1R)-6-bromo-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESCc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)n3c2nc2cc(Br)ccc23)cc1
InChIInChI=1S/C22H18BrN3O2S/c1-15-7-10-18(11-8-15)29(27,28)25-14-21(16-5-3-2-4-6-16)26-20-12-9-17(23)13-19(20)24-22(25)26/h2-13,21H,14H2,1H3/t21-/m0/s1
InChIKeyJQZHCBWXHOGNDD-NRFANRHFSA-N
XLogP4.91
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500468.38
LogP ≤ 54.91
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (1R)-6-bromo-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
The IUPAC name of (1R)-6-bromo-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydroimidazo[1,2-a]benzimidazole (CID 138977098) is (1R)-6-bromo-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydroimidazo[1,2-a]benzimidazole.
What is the SMILES notation for (1R)-6-bromo-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
The canonical SMILES for (1R)-6-bromo-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydroimidazo[1,2-a]benzimidazole is Cc1ccc(S(=O)(=O)N2C[C@@H](c3ccccc3)n3c2nc2cc(Br)ccc23)cc1.
What is the InChIKey of (1R)-6-bromo-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
The InChIKey is JQZHCBWXHOGNDD-NRFANRHFSA-N. The full InChI is InChI=1S/C22H18BrN3O2S/c1-15-7-10-18(11-8-15)29(27,28)25-14-21(16-5-3-2-4-6-16)26-20-12-9-17(23)13-19(20)24-22(25)26/h2-13,21H,14H2,1H3/t21-/m0/s1.
What are the key properties of (1R)-6-bromo-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
(1R)-6-bromo-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydroimidazo[1,2-a]benzimidazole has a molecular weight of 468.38 g/mol, XLogP of 4.91, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (1R)-6-bromo-3-(4-methylphenyl)sulfonyl-1-phenyl-1,2-dihydroimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 138977098), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).