2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide

C19H23N3O2S — CID 15995775

IUPAC2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C19H23N3O2S/c1-3-12-22(13-4-2)25(23,24)16-10-11-17-18(14-16)21-19(20-17)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,20,21)
InChIKeyPFITZESRTBQCHT-UHFFFAOYSA-N
MW357.48 g/mol
LogP4.04
Rot. Bonds7

About 2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide

2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide (PubChem CID 15995775) has the molecular formula C19H23N3O2S and a molecular weight of 357.48 g/mol. Its IUPAC name is 2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide.

Molecular Properties

Compound Name2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide
PubChem CID15995775
Molecular FormulaC19H23N3O2S
Molecular Weight357.48 g/mol
Exact Mass357.15
IUPAC Name2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide
SMILESCCCN(CCC)S(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1
InChIInChI=1S/C19H23N3O2S/c1-3-12-22(13-4-2)25(23,24)16-10-11-17-18(14-16)21-19(20-17)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,20,21)
InChIKeyPFITZESRTBQCHT-UHFFFAOYSA-N
XLogP4.04
TPSA66.06 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.48
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

N,N-bis(2-cyanoethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 3728615
N-(2-methoxyethyl)-N-methyl-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 23936708
2-phenyl-6-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]-1H-benzimidazole
CID 101498548
4-(1H-benzimidazol-2-yl)-N,N-diethylbenzenesulfonamide
CID 101078161
2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]-N-propylacetamide
CID 22551980
N-butyl-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 122174787
methyl 2-[4-(dipropylsulfamoyl)-2-ethoxyphenyl]-3H-benzimidazole-5-carboxylate
CID 70494047
N-(2-hydroxyethyl)-2-phenyl-3H-benzimidazole-5-sulfonamide
CID 176561332
N,N-diethyl-2-[(4-phenylphenoxy)methyl]-3H-benzimidazole-5-sulfonamide
CID 3993407
N-(2-ethoxyphenyl)-2-[methyl-[(2-phenyl-3H-benzimidazol-5-yl)sulfonyl]amino]acetamide
CID 22552071
2-[4-(1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid;ethane;2-[4-(6-sulfo-1H-benzimidazol-2-yl)phenyl]-3H-benzimidazole-5-sulfonic acid
CID 145332196
sulfino 2-phenyl-3H-benzimidazole-5-sulfonate
CID 137408588

Frequently Asked Questions

What is the IUPAC name of 2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide?
The IUPAC name of 2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide (CID 15995775) is 2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide.
What is the SMILES notation for 2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide?
The canonical SMILES for 2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide is CCCN(CCC)S(=O)(=O)c1ccc2nc(-c3ccccc3)[nH]c2c1.
What is the InChIKey of 2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide?
The InChIKey is PFITZESRTBQCHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N3O2S/c1-3-12-22(13-4-2)25(23,24)16-10-11-17-18(14-16)21-19(20-17)15-8-6-5-7-9-15/h5-11,14H,3-4,12-13H2,1-2H3,(H,20,21).
What are the key properties of 2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide?
2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide has a molecular weight of 357.48 g/mol, XLogP of 4.04, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-phenyl-N,N-dipropyl-3H-benzimidazole-5-sulfonamide is sourced from PubChem (CID 15995775), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).