3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluoro-1H-indol-3-yl)benzimidazole-5-sulfonamide

C24H19FN6O3S — CID 177185171

IUPAC3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluoro-1H-indol-3-yl)benzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(-n3c(-c4c[nH]c5cccc(F)c45)nc4ccc(S(N)(=O)=O)cc43)ccc21
InChIInChI=1S/C24H19FN6O3S/c1-29-19-9-6-13(10-21(19)30(2)24(29)32)31-20-11-14(35(26,33)34)7-8-17(20)28-23(31)15-12-27-18-5-3-4-16(25)22(15)18/h3-12,27H,1-2H3,(H2,26,33,34)
InChIKeyLITOGMACKJIZAK-UHFFFAOYSA-N
MW490.52 g/mol
LogP3.15
Rot. Bonds3

About 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluoro-1H-indol-3-yl)benzimidazole-5-sulfonamide

3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluoro-1H-indol-3-yl)benzimidazole-5-sulfonamide (PubChem CID 177185171) has the molecular formula C24H19FN6O3S and a molecular weight of 490.52 g/mol. Its IUPAC name is 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluoro-1H-indol-3-yl)benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluoro-1H-indol-3-yl)benzimidazole-5-sulfonamide
PubChem CID177185171
Molecular FormulaC24H19FN6O3S
Molecular Weight490.52 g/mol
Exact Mass490.12
IUPAC Name3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluoro-1H-indol-3-yl)benzimidazole-5-sulfonamide
SMILESCn1c(=O)n(C)c2cc(-n3c(-c4c[nH]c5cccc(F)c45)nc4ccc(S(N)(=O)=O)cc43)ccc21
InChIInChI=1S/C24H19FN6O3S/c1-29-19-9-6-13(10-21(19)30(2)24(29)32)31-20-11-14(35(26,33)34)7-8-17(20)28-23(31)15-12-27-18-5-3-4-16(25)22(15)18/h3-12,27H,1-2H3,(H2,26,33,34)
InChIKeyLITOGMACKJIZAK-UHFFFAOYSA-N
XLogP3.15
TPSA120.70 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500490.52
LogP ≤ 53.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluoro-1H-indol-3-yl)benzimidazole-5-sulfonamide?
The IUPAC name of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluoro-1H-indol-3-yl)benzimidazole-5-sulfonamide (CID 177185171) is 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluoro-1H-indol-3-yl)benzimidazole-5-sulfonamide.
What is the SMILES notation for 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluoro-1H-indol-3-yl)benzimidazole-5-sulfonamide?
The canonical SMILES for 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluoro-1H-indol-3-yl)benzimidazole-5-sulfonamide is Cn1c(=O)n(C)c2cc(-n3c(-c4c[nH]c5cccc(F)c45)nc4ccc(S(N)(=O)=O)cc43)ccc21.
What is the InChIKey of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluoro-1H-indol-3-yl)benzimidazole-5-sulfonamide?
The InChIKey is LITOGMACKJIZAK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN6O3S/c1-29-19-9-6-13(10-21(19)30(2)24(29)32)31-20-11-14(35(26,33)34)7-8-17(20)28-23(31)15-12-27-18-5-3-4-16(25)22(15)18/h3-12,27H,1-2H3,(H2,26,33,34).
What are the key properties of 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluoro-1H-indol-3-yl)benzimidazole-5-sulfonamide?
3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluoro-1H-indol-3-yl)benzimidazole-5-sulfonamide has a molecular weight of 490.52 g/mol, XLogP of 3.15, 3 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(1,3-dimethyl-2-oxobenzimidazol-5-yl)-2-(4-fluoro-1H-indol-3-yl)benzimidazole-5-sulfonamide is sourced from PubChem (CID 177185171), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).