5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-1-(2-methylphenyl)sulfonylindole

C20H21N3O2S — CID 155540936

IUPAC5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-1-(2-methylphenyl)sulfonylindole
SMILESCC1=NCC(c2cn(S(=O)(=O)c3ccccc3C)c3ccc(C)cc23)N1
InChIInChI=1S/C20H21N3O2S/c1-13-8-9-19-16(10-13)17(18-11-21-15(3)22-18)12-23(19)26(24,25)20-7-5-4-6-14(20)2/h4-10,12,18H,11H2,1-3H3,(H,21,22)
InChIKeyVIYGPZIYLSPDBJ-UHFFFAOYSA-N
MW367.47 g/mol
LogP3.56
Rot. Bonds3

About 5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-1-(2-methylphenyl)sulfonylindole

5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-1-(2-methylphenyl)sulfonylindole (PubChem CID 155540936) has the molecular formula C20H21N3O2S and a molecular weight of 367.47 g/mol. Its IUPAC name is 5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-1-(2-methylphenyl)sulfonylindole.

Molecular Properties

Compound Name5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-1-(2-methylphenyl)sulfonylindole
PubChem CID155540936
Molecular FormulaC20H21N3O2S
Molecular Weight367.47 g/mol
Exact Mass367.14
IUPAC Name5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-1-(2-methylphenyl)sulfonylindole
SMILESCC1=NCC(c2cn(S(=O)(=O)c3ccccc3C)c3ccc(C)cc23)N1
InChIInChI=1S/C20H21N3O2S/c1-13-8-9-19-16(10-13)17(18-11-21-15(3)22-18)12-23(19)26(24,25)20-7-5-4-6-14(20)2/h4-10,12,18H,11H2,1-3H3,(H,21,22)
InChIKeyVIYGPZIYLSPDBJ-UHFFFAOYSA-N
XLogP3.56
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500367.47
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(2-fluorophenyl)sulfonyl-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)indole
CID 155532687
1,3,5-tris[(2-methylphenyl)sulfonyl]-1,3,5-triazinane
CID 562883
1-(4-methylphenyl)sulfonyl-3-piperidin-4-ylindole
CID 58017354
6-methyl-4-(2-methylphenyl)sulfonyl-2,3-dihydro-1,4-benzoxazine
CID 110639263
1-(2-methylphenyl)sulfonylaziridine
CID 22214975
3-[1-(benzenesulfonyl)-5-methylindol-3-yl]propanoic acid
CID 18449981
9-(2-methylphenyl)sulfonylcarbazole
CID 102076870
1-(2-methylphenyl)sulfonylindole
CID 53400635
6-bromo-1-(2-methylphenyl)sulfonylindole
CID 66766049
1-(2-methylphenyl)sulfonyl-3-piperidin-4-ylindazole
CID 175447209
2-cyclohexyl-1-(2-methylphenyl)sulfonylaziridine
CID 174367697
N-[(1R,2S)-2-hydroxycyclohexyl]-N,2,5-trimethylbenzenesulfonamide
CID 95706281

Frequently Asked Questions

What is the IUPAC name of 5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-1-(2-methylphenyl)sulfonylindole?
The IUPAC name of 5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-1-(2-methylphenyl)sulfonylindole (CID 155540936) is 5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-1-(2-methylphenyl)sulfonylindole.
What is the SMILES notation for 5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-1-(2-methylphenyl)sulfonylindole?
The canonical SMILES for 5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-1-(2-methylphenyl)sulfonylindole is CC1=NCC(c2cn(S(=O)(=O)c3ccccc3C)c3ccc(C)cc23)N1.
What is the InChIKey of 5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-1-(2-methylphenyl)sulfonylindole?
The InChIKey is VIYGPZIYLSPDBJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N3O2S/c1-13-8-9-19-16(10-13)17(18-11-21-15(3)22-18)12-23(19)26(24,25)20-7-5-4-6-14(20)2/h4-10,12,18H,11H2,1-3H3,(H,21,22).
What are the key properties of 5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-1-(2-methylphenyl)sulfonylindole?
5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-1-(2-methylphenyl)sulfonylindole has a molecular weight of 367.47 g/mol, XLogP of 3.56, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-1-(2-methylphenyl)sulfonylindole is sourced from PubChem (CID 155540936), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).