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

C27H23N3O2S — CID 90040381

IUPACN-[3-(1-benzylbenzimidazol-2-yl)phenyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1cccc(-c2nc3ccccc3n2Cc2ccccc2)c1
InChIInChI=1S/C27H23N3O2S/c31-33(32,20-22-12-5-2-6-13-22)29-24-15-9-14-23(18-24)27-28-25-16-7-8-17-26(25)30(27)19-21-10-3-1-4-11-21/h1-18,29H,19-20H2
InChIKeyLZJDCTCKZWEKFV-UHFFFAOYSA-N
MW453.57 g/mol
LogP5.69
Rot. Bonds7

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

N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-1-phenylmethanesulfonamide (PubChem CID 90040381) has the molecular formula C27H23N3O2S and a molecular weight of 453.57 g/mol. Its IUPAC name is N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-1-phenylmethanesulfonamide.

Molecular Properties

Compound NameN-[3-(1-benzylbenzimidazol-2-yl)phenyl]-1-phenylmethanesulfonamide
PubChem CID90040381
Molecular FormulaC27H23N3O2S
Molecular Weight453.57 g/mol
Exact Mass453.15
IUPAC NameN-[3-(1-benzylbenzimidazol-2-yl)phenyl]-1-phenylmethanesulfonamide
SMILESO=S(=O)(Cc1ccccc1)Nc1cccc(-c2nc3ccccc3n2Cc2ccccc2)c1
InChIInChI=1S/C27H23N3O2S/c31-33(32,20-22-12-5-2-6-13-22)29-24-15-9-14-23(18-24)27-28-25-16-7-8-17-26(25)30(27)19-21-10-3-1-4-11-21/h1-18,29H,19-20H2
InChIKeyLZJDCTCKZWEKFV-UHFFFAOYSA-N
XLogP5.69
TPSA63.99 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500453.57
LogP ≤ 55.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-2-phenylethanesulfonamide
CID 90040778
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-(1-benzylbenzimidazol-2-yl)-N-(2-phenylethyl)benzamide
CID 90040181
3-[[2-(3-methylphenyl)benzimidazol-1-yl]methyl]phenol
CID 15388681
2-(3-bromophenyl)-1-[(4-bromophenyl)methyl]benzimidazole
CID 17001838
1-benzyl-2-(4-fluorophenyl)benzimidazole
CID 19243195
N-[4-(1-benzylbenzimidazol-2-yl)phenyl]-1,1-dioxothiolane-3-sulfonamide
CID 123858661
ethyl 3-[[4-(1-benzylbenzimidazol-2-yl)phenyl]sulfamoyl]propanoate;2,2,2-trifluoroacetic acid
CID 90040268
2-(4-bromophenyl)-1-[(3-methylphenyl)methyl]benzimidazole
CID 17001142

Frequently Asked Questions

What is the IUPAC name of N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-1-phenylmethanesulfonamide?
The IUPAC name of N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-1-phenylmethanesulfonamide (CID 90040381) is N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-1-phenylmethanesulfonamide.
What is the SMILES notation for N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-1-phenylmethanesulfonamide?
The canonical SMILES for N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-1-phenylmethanesulfonamide is O=S(=O)(Cc1ccccc1)Nc1cccc(-c2nc3ccccc3n2Cc2ccccc2)c1.
What is the InChIKey of N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-1-phenylmethanesulfonamide?
The InChIKey is LZJDCTCKZWEKFV-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H23N3O2S/c31-33(32,20-22-12-5-2-6-13-22)29-24-15-9-14-23(18-24)27-28-25-16-7-8-17-26(25)30(27)19-21-10-3-1-4-11-21/h1-18,29H,19-20H2.
What are the key properties of N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-1-phenylmethanesulfonamide?
N-[3-(1-benzylbenzimidazol-2-yl)phenyl]-1-phenylmethanesulfonamide has a molecular weight of 453.57 g/mol, XLogP of 5.69, 7 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]-1-phenylmethanesulfonamide is sourced from PubChem (CID 90040381), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).