1-(2-fluorophenyl)sulfonyl-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)indole

C19H18FN3O2S — CID 155532687

IUPAC1-(2-fluorophenyl)sulfonyl-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)indole
SMILESCC1=NCC(c2cn(S(=O)(=O)c3ccccc3F)c3ccc(C)cc23)N1
InChIInChI=1S/C19H18FN3O2S/c1-12-7-8-18-14(9-12)15(17-10-21-13(2)22-17)11-23(18)26(24,25)19-6-4-3-5-16(19)20/h3-9,11,17H,10H2,1-2H3,(H,21,22)
InChIKeyHYXKGYXYUFTOKO-UHFFFAOYSA-N
MW371.44 g/mol
LogP3.39
Rot. Bonds3

About 1-(2-fluorophenyl)sulfonyl-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)indole

1-(2-fluorophenyl)sulfonyl-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)indole (PubChem CID 155532687) has the molecular formula C19H18FN3O2S and a molecular weight of 371.44 g/mol. Its IUPAC name is 1-(2-fluorophenyl)sulfonyl-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)indole.

Molecular Properties

Compound Name1-(2-fluorophenyl)sulfonyl-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)indole
PubChem CID155532687
Molecular FormulaC19H18FN3O2S
Molecular Weight371.44 g/mol
Exact Mass371.11
IUPAC Name1-(2-fluorophenyl)sulfonyl-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)indole
SMILESCC1=NCC(c2cn(S(=O)(=O)c3ccccc3F)c3ccc(C)cc23)N1
InChIInChI=1S/C19H18FN3O2S/c1-12-7-8-18-14(9-12)15(17-10-21-13(2)22-17)11-23(18)26(24,25)19-6-4-3-5-16(19)20/h3-9,11,17H,10H2,1-2H3,(H,21,22)
InChIKeyHYXKGYXYUFTOKO-UHFFFAOYSA-N
XLogP3.39
TPSA63.46 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.44
LogP ≤ 53.39
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)-1-(2-methylphenyl)sulfonylindole
CID 155540936
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2-[1-(2-fluorophenyl)sulfonylazetidin-3-yl]-6-methyl-1H-benzimidazole
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CID 95079257
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CID 58017354
[(1S,2S)-2-[5-fluoro-1-(4-methylphenyl)sulfonylindol-3-yl]cyclopropyl]methanol
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CID 80666962
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CID 23741901
9-(2-fluoro-5-methylphenyl)sulfonyl-3,9-diazabicyclo[4.2.1]nonane
CID 120719538
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CID 7569943

Frequently Asked Questions

What is the IUPAC name of 1-(2-fluorophenyl)sulfonyl-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)indole?
The IUPAC name of 1-(2-fluorophenyl)sulfonyl-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)indole (CID 155532687) is 1-(2-fluorophenyl)sulfonyl-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)indole.
What is the SMILES notation for 1-(2-fluorophenyl)sulfonyl-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)indole?
The canonical SMILES for 1-(2-fluorophenyl)sulfonyl-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)indole is CC1=NCC(c2cn(S(=O)(=O)c3ccccc3F)c3ccc(C)cc23)N1.
What is the InChIKey of 1-(2-fluorophenyl)sulfonyl-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)indole?
The InChIKey is HYXKGYXYUFTOKO-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18FN3O2S/c1-12-7-8-18-14(9-12)15(17-10-21-13(2)22-17)11-23(18)26(24,25)19-6-4-3-5-16(19)20/h3-9,11,17H,10H2,1-2H3,(H,21,22).
What are the key properties of 1-(2-fluorophenyl)sulfonyl-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)indole?
1-(2-fluorophenyl)sulfonyl-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)indole has a molecular weight of 371.44 g/mol, XLogP of 3.39, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-fluorophenyl)sulfonyl-5-methyl-3-(2-methyl-4,5-dihydro-1H-imidazol-5-yl)indole is sourced from PubChem (CID 155532687), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).