3-(4-chlorophenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole

C15H12ClN3O2S — CID 976018

IUPAC3-(4-chlorophenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C15H12ClN3O2S/c16-11-5-7-12(8-6-11)22(20,21)19-10-9-18-14-4-2-1-3-13(14)17-15(18)19/h1-8H,9-10H2
InChIKeyVGPXLLFFATXJNH-UHFFFAOYSA-N
MW333.80 g/mol
LogP2.90
Rot. Bonds2

About 3-(4-chlorophenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole

3-(4-chlorophenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole (PubChem CID 976018) has the molecular formula C15H12ClN3O2S and a molecular weight of 333.80 g/mol. Its IUPAC name is 3-(4-chlorophenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole.

Molecular Properties

Compound Name3-(4-chlorophenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole
PubChem CID976018
Molecular FormulaC15H12ClN3O2S
Molecular Weight333.80 g/mol
Exact Mass333.03
IUPAC Name3-(4-chlorophenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole
SMILESO=S(=O)(c1ccc(Cl)cc1)N1CCn2c1nc1ccccc12
InChIInChI=1S/C15H12ClN3O2S/c16-11-5-7-12(8-6-11)22(20,21)19-10-9-18-14-4-2-1-3-13(14)17-15(18)19/h1-8H,9-10H2
InChIKeyVGPXLLFFATXJNH-UHFFFAOYSA-N
XLogP2.90
TPSA55.20 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.80
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-chloro-N-[(1R)-1-(6-chloro-1-ethyl-5-fluorobenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177011
1-(4-chlorobenzenesulfonyl)-1H-1,3-benzodiazole
CID 746713
Cambridge id 6957993
CID 1326313
1-((4-Chlorophenyl)sulfonyl)-1H-benzimidazol-2-amine
CID 1088439
4-Chloro-N-[(1R)-1-(1-ethyl-1H-benzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177019
4-chloro-N-[(1R)-1-(7-chloro-1-ethylbenzimidazol-2-yl)ethyl]benzenesulfonamide
CID 59177212
1-(methylsulfonyl)-2,3-dihydro-1H-imidazo[1,2-a]benzimidazole
CID 400918
1-(Benzenesulfonyl)benzimidazole
CID 700150
N-(1H-benzimidazol-2-yl)-4-chlorobenzenesulfonamide
CID 645632
4-chloro-N-{1-methyl-2-[2-(piperidin-1-yl)ethyl]-1H-benzimidazol-5-yl}benzenesulfonamide
CID 667327
4-Chloro-1-[(2-methylbenzimidazolyl)sulfonyl]benzene
CID 763279
2-[4-(4-Chlorophenyl)sulfonylpiperazin-1-yl]-1-methylbenzimidazole
CID 1462197

Frequently Asked Questions

What is the IUPAC name of 3-(4-chlorophenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
The IUPAC name of 3-(4-chlorophenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole (CID 976018) is 3-(4-chlorophenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole.
What is the SMILES notation for 3-(4-chlorophenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
The canonical SMILES for 3-(4-chlorophenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole is O=S(=O)(c1ccc(Cl)cc1)N1CCn2c1nc1ccccc12.
What is the InChIKey of 3-(4-chlorophenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
The InChIKey is VGPXLLFFATXJNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O2S/c16-11-5-7-12(8-6-11)22(20,21)19-10-9-18-14-4-2-1-3-13(14)17-15(18)19/h1-8H,9-10H2.
What are the key properties of 3-(4-chlorophenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole?
3-(4-chlorophenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole has a molecular weight of 333.80 g/mol, XLogP of 2.90, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4-chlorophenyl)sulfonyl-1,2-dihydroimidazo[1,2-a]benzimidazole is sourced from PubChem (CID 976018), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).