N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-2-phenylethanesulfonamide

C28H25N3O2S — CID 90040778

IUPACN-[3-(1-benzylbenzimidazol-2-yl)phenyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1cccc(-c2nc3ccccc3n2Cc2ccccc2)c1
InChIInChI=1S/C28H25N3O2S/c32-34(33,19-18-22-10-3-1-4-11-22)30-25-15-9-14-24(20-25)28-29-26-16-7-8-17-27(26)31(28)21-23-12-5-2-6-13-23/h1-17,20,30H,18-19,21H2
InChIKeyJCIJWUJOENWMCH-UHFFFAOYSA-N
MW467.59 g/mol
LogP5.74
Rot. Bonds8

About N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-2-phenylethanesulfonamide

N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-2-phenylethanesulfonamide (PubChem CID 90040778) has the molecular formula C28H25N3O2S and a molecular weight of 467.59 g/mol. Its IUPAC name is N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-2-phenylethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-benzylbenzimidazol-2-yl)phenyl]-2-phenylethanesulfonamide
PubChem CID90040778
Molecular FormulaC28H25N3O2S
Molecular Weight467.59 g/mol
Exact Mass467.17
IUPAC NameN-[3-(1-benzylbenzimidazol-2-yl)phenyl]-2-phenylethanesulfonamide
SMILESO=S(=O)(CCc1ccccc1)Nc1cccc(-c2nc3ccccc3n2Cc2ccccc2)c1
InChIInChI=1S/C28H25N3O2S/c32-34(33,19-18-22-10-3-1-4-11-22)30-25-15-9-14-24(20-25)28-29-26-16-7-8-17-27(26)31(28)21-23-12-5-2-6-13-23/h1-17,20,30H,18-19,21H2
InChIKeyJCIJWUJOENWMCH-UHFFFAOYSA-N
XLogP5.74
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms34
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500467.59
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-1-phenylmethanesulfonamide
CID 90040381
3-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide
CID 90040181
3-[[2-(3-hydroxyphenyl)benzimidazol-1-yl]methyl]phenol
CID 888730
2-(3-bromophenyl)-1-[(3-bromophenyl)methyl]benzimidazole
CID 4624826
1-[(3-bromophenyl)methyl]-2-phenylbenzimidazole
CID 17000494
2,4,6-tris(1-benzylbenzimidazol-2-yl)phenol
CID 139146415
3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol
CID 15388681
ethyl 3-[[4-(1-benzylbenzimidazol-2-yl)phenyl]sulfamoyl]propanoate;2,2,2-trifluoroacetic acid
CID 90040268
2-(3-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole
CID 17001838
N-(3-iodophenyl)-2-phenylethanesulfonamide
CID 47309570
(E)-3-[3-[1-[(3-chlorophenyl)methyl]benzimidazol-2-yl]phenyl]-N-hydroxyprop-2-enamide
CID 10408900
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-2-phenylethanesulfonamide?
The IUPAC name of N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-2-phenylethanesulfonamide (CID 90040778) is N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-2-phenylethanesulfonamide.
What is the SMILES notation for N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-2-phenylethanesulfonamide?
The canonical SMILES for N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-2-phenylethanesulfonamide is O=S(=O)(CCc1ccccc1)Nc1cccc(-c2nc3ccccc3n2Cc2ccccc2)c1.
What is the InChIKey of N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-2-phenylethanesulfonamide?
The InChIKey is JCIJWUJOENWMCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H25N3O2S/c32-34(33,19-18-22-10-3-1-4-11-22)30-25-15-9-14-24(20-25)28-29-26-16-7-8-17-27(26)31(28)21-23-12-5-2-6-13-23/h1-17,20,30H,18-19,21H2.
What are the key properties of N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-2-phenylethanesulfonamide?
N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-2-phenylethanesulfonamide has a molecular weight of 467.59 g/mol, XLogP of 5.74, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-2-phenylethanesulfonamide is sourced from PubChem (CID 90040778), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).