1-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole

C17H16N2O2S2 — CID 2955782

IUPAC1-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESCc1ccc(S(=O)(=O)CC2CSc3nc4ccccc4n32)cc1
InChIInChI=1S/C17H16N2O2S2/c1-12-6-8-14(9-7-12)23(20,21)11-13-10-22-17-18-15-4-2-3-5-16(15)19(13)17/h2-9,13H,10-11H2,1H3
InChIKeyWRNRNAJPWBNTPX-UHFFFAOYSA-N
MW344.46 g/mol
LogP3.47
Rot. Bonds3

About 1-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole

1-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole (PubChem CID 2955782) has the molecular formula C17H16N2O2S2 and a molecular weight of 344.46 g/mol. Its IUPAC name is 1-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole.

Molecular Properties

Compound Name1-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole
PubChem CID2955782
Molecular FormulaC17H16N2O2S2
Molecular Weight344.46 g/mol
Exact Mass344.07
IUPAC Name1-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole
SMILESCc1ccc(S(=O)(=O)CC2CSc3nc4ccccc4n32)cc1
InChIInChI=1S/C17H16N2O2S2/c1-12-6-8-14(9-7-12)23(20,21)11-13-10-22-17-18-15-4-2-3-5-16(15)19(13)17/h2-9,13H,10-11H2,1H3
InChIKeyWRNRNAJPWBNTPX-UHFFFAOYSA-N
XLogP3.47
TPSA51.96 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.46
LogP ≤ 53.47
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2',6'-difluorophenyl)-1H,3H-thiazolo(3,4-a)benzimidazole
CID 122665
2-{2-[(4-methylphenyl)sulfonyl]ethyl}-1H-benzimidazole
CID 685518
3-(1-Methylbenzimidazol-2-yl)sulfanyl-1-benzothiophene 1,1-dioxide
CID 647114
1-[1-(1-Methylcyclooctyl)piperidin-4-yl]-2-[3-(methylsulfonyl)phenyl]-1H-benzimidazole
CID 25208101
2-Tert-butyl-1-(cyclohexylmethyl)-5-ethylsulfonylbenzimidazole
CID 44449353
3-(2-{2-[(4-methylphenyl)sulfonyl]ethyl}-1H-benzimidazol-1-yl)propanenitrile
CID 2925354
Imidazo[2,1-b]thiazole,5-[4-(methylsulfonyl)phenyl]-6-phenyl-
CID 9928539
1-methyl-2-(4-tosylpiperazin-1-yl)-1H-benzo[d]imidazole
CID 16812383
N-Cyclohexyl-N-methyl-4-(2-methyl-benzoimidazol-1-ylmethyl)-benzenesulfonamide
CID 44284466
4-(1-Methylbenzimidazol-2-yl)benzenesulfonamide
CID 67472718
{2-[2-(Toluene-4-sulfonyl)-ethyl]-benzoimidazol-1-yl}-acetic acid methyl ester
CID 645527
2-(4-Phenylmethanesulfonyl-piperazin-1-yl)-1-propyl-1H-benzoimidazole
CID 650535

Frequently Asked Questions

What is the IUPAC name of 1-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole?
The IUPAC name of 1-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole (CID 2955782) is 1-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole.
What is the SMILES notation for 1-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole?
The canonical SMILES for 1-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole is Cc1ccc(S(=O)(=O)CC2CSc3nc4ccccc4n32)cc1.
What is the InChIKey of 1-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole?
The InChIKey is WRNRNAJPWBNTPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H16N2O2S2/c1-12-6-8-14(9-7-12)23(20,21)11-13-10-22-17-18-15-4-2-3-5-16(15)19(13)17/h2-9,13H,10-11H2,1H3.
What are the key properties of 1-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole?
1-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole has a molecular weight of 344.46 g/mol, XLogP of 3.47, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(4-methylphenyl)sulfonylmethyl]-1,2-dihydro-[1,3]thiazolo[3,2-a]benzimidazole is sourced from PubChem (CID 2955782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).