N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide

C25H24N4O3S — CID 1355735

IUPACN-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H24N4O3S/c30-25(18-12-14-19(15-13-18)33(31,32)29-16-6-1-7-17-29)28-21-9-3-2-8-20(21)24-26-22-10-4-5-11-23(22)27-24/h2-5,8-15H,1,6-7,16-17H2,(H,26,27)(H,28,30)
InChIKeyRRHACITXXDWILZ-UHFFFAOYSA-N
MW460.56 g/mol
LogP4.66
Rot. Bonds5

About N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide

N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide (PubChem CID 1355735) has the molecular formula C25H24N4O3S and a molecular weight of 460.56 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide
PubChem CID1355735
Molecular FormulaC25H24N4O3S
Molecular Weight460.56 g/mol
Exact Mass460.16
IUPAC NameN-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide
SMILESO=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCCCC2)cc1
InChIInChI=1S/C25H24N4O3S/c30-25(18-12-14-19(15-13-18)33(31,32)29-16-6-1-7-17-29)28-21-9-3-2-8-20(21)24-26-22-10-4-5-11-23(22)27-24/h2-5,8-15H,1,6-7,16-17H2,(H,26,27)(H,28,30)
InChIKeyRRHACITXXDWILZ-UHFFFAOYSA-N
XLogP4.66
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500460.56
LogP ≤ 54.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

MK 996
CID 133031
N-[(1S)-1-(1H-1,3-benzodiazol-2-yl)-2-[4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-5-yl)phenyl]ethyl]benzenesulfonamide
CID 23646431
2-[1-(dimethylsulfamoyl)piperidin-4-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 25190741
2-isopropyl-1H-benzoimidazole-4-carboxylic acid [1-(1-methanesulfonylpiperidin-4-ylmethyl)piperidin-4-ylmethyl]amide
CID 66810955
4-Amino-3-{6-[(4-methylpiperazinyl)carbonyl]benzimidazol-2-yl}hydroquinolin-2-one
CID 135674144
N-[2-(1H-Benzoimidazol-2-yl)-ethyl]-benzamide
CID 675103
2-[1-(benzenesulfonyl)piperidin-4-yl]-1H-1,3-benzodiazole-4-carboxamide
CID 25190740
N-[(1S)-1-(1H-1,3-benzodiazol-2-yl)-2-[4-(1,1,3-trioxo-1$l^{6},2-thiazolidin-5-yl)phenyl]ethyl]-4-methylbenzene-1-sulfonamide
CID 11679024
6-(1H-benzimidazol-2-ylmethyl)-12H-quinoxalino[2,3-b][1,4]benzodiazepin-13-one
CID 71450627
N-[[1-[2-(4-methylsulfonylpiperazin-1-yl)ethyl]piperidin-4-yl]methyl]-2-propan-2-yl-1H-benzimidazole-4-carboxamide
CID 71712327
N-[2-(1H-benzimidazol-2-ylmethylamino)-2-oxoethyl]benzamide
CID 955215
2-[(4-acetylphenyl)sulfonylamino]-N-[1-(1H-benzimidazol-2-yl)-2-methylpropyl]acetamide
CID 16348163

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide (CID 1355735) is N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide is O=C(Nc1ccccc1-c1nc2ccccc2[nH]1)c1ccc(S(=O)(=O)N2CCCCC2)cc1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide?
The InChIKey is RRHACITXXDWILZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4O3S/c30-25(18-12-14-19(15-13-18)33(31,32)29-16-6-1-7-17-29)28-21-9-3-2-8-20(21)24-26-22-10-4-5-11-23(22)27-24/h2-5,8-15H,1,6-7,16-17H2,(H,26,27)(H,28,30).
What are the key properties of N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide?
N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide has a molecular weight of 460.56 g/mol, XLogP of 4.66, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)phenyl]-4-piperidin-1-ylsulfonylbenzamide is sourced from PubChem (CID 1355735), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).