2-methyl-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;sulfur trioxide

C17H15N3O3S — CID 162111228

IUPAC2-methyl-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;sulfur trioxide
SMILESCc1ccc(C2=Nc3cc4nc(C)[nH]c4cc3C2)cc1.O=S(=O)=O
InChIInChI=1S/C17H15N3.O3S/c1-10-3-5-12(6-4-10)14-7-13-8-16-17(9-15(13)20-14)19-11(2)18-16;1-4(2)3/h3-6,8-9H,7H2,1-2H3,(H,18,19);
InChIKeyZGEIWDVGSYKRMU-UHFFFAOYSA-N
MW341.39 g/mol
LogP2.85
Rot. Bonds1

About 2-methyl-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;sulfur trioxide

2-methyl-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;sulfur trioxide (PubChem CID 162111228) has the molecular formula C17H15N3O3S and a molecular weight of 341.39 g/mol. Its IUPAC name is 2-methyl-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;sulfur trioxide.

Molecular Properties

Compound Name2-methyl-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;sulfur trioxide
PubChem CID162111228
Molecular FormulaC17H15N3O3S
Molecular Weight341.39 g/mol
Exact Mass341.08
IUPAC Name2-methyl-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;sulfur trioxide
SMILESCc1ccc(C2=Nc3cc4nc(C)[nH]c4cc3C2)cc1.O=S(=O)=O
InChIInChI=1S/C17H15N3.O3S/c1-10-3-5-12(6-4-10)14-7-13-8-16-17(9-15(13)20-14)19-11(2)18-16;1-4(2)3/h3-6,8-9H,7H2,1-2H3,(H,18,19);
InChIKeyZGEIWDVGSYKRMU-UHFFFAOYSA-N
XLogP2.85
TPSA92.25 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.39
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-[3-(2-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-6-yl)-5-(6-methyl-3,7-dihydropyrrolo[3,2-f]benzimidazol-2-yl)phenyl]-1,5-dihydroimidazo[4,5-f]benzimidazole
CID 164950642
6-methyl-2-(3-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole
CID 159713005
6-methyl-2-(5-methyl-2-pyridinyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole
CID 159713001
2,6-dimethyl-3H-benzo[f]benzimidazole;ethane
CID 144506658
2-(4-methylphenyl)-3H-indole-6-carbonitrile
CID 67596128
2,6-bis(3,5-dimethylphenyl)-3,7-dihydropyrrolo[2,3-f]indole
CID 166805679
2,6-bis(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazole
CID 59482293
6-methyl-2-(4-methylphenyl)-3,5-dihydroimidazo[4,5-f]benzimidazol-1-ium
CID 58690905
ethane;methanamine;2-(4-methylphenyl)-6-propan-2-yl-3H-indole
CID 156752898
2-[4-[1,1,1,3,3,3-hexafluoro-2-(4-methylphenyl)propan-2-yl]phenyl]-6-[4-(6-methyl-3,5-dihydropyrrolo[3,2-f]indol-2-yl)phenyl]-3,5-dihydropyrrolo[3,2-f]indole
CID 59364977
2-methyl-3H-benzimidazole-5-sulfinyl fluoride
CID 118054438
2-methyl-6-(4-methylphenyl)sulfanyl-1H-benzimidazole
CID 170127062

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;sulfur trioxide?
The IUPAC name of 2-methyl-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;sulfur trioxide (CID 162111228) is 2-methyl-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;sulfur trioxide.
What is the SMILES notation for 2-methyl-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;sulfur trioxide?
The canonical SMILES for 2-methyl-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;sulfur trioxide is Cc1ccc(C2=Nc3cc4nc(C)[nH]c4cc3C2)cc1.O=S(=O)=O.
What is the InChIKey of 2-methyl-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;sulfur trioxide?
The InChIKey is ZGEIWDVGSYKRMU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3.O3S/c1-10-3-5-12(6-4-10)14-7-13-8-16-17(9-15(13)20-14)19-11(2)18-16;1-4(2)3/h3-6,8-9H,7H2,1-2H3,(H,18,19);.
What are the key properties of 2-methyl-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;sulfur trioxide?
2-methyl-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;sulfur trioxide has a molecular weight of 341.39 g/mol, XLogP of 2.85, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-(4-methylphenyl)-1,7-dihydropyrrolo[2,3-f]benzimidazole;sulfur trioxide is sourced from PubChem (CID 162111228), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).