N-[3-(1H-benzimidazol-2-yl)propyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide

C25H24Cl2N4O3S — CID 69192060

IUPACN-[3-(1H-benzimidazol-2-yl)propyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide
SMILESCS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C25H24Cl2N4O3S/c1-35(33,34)31(16-18-6-4-7-20(26)24(18)27)19-13-11-17(12-14-19)25(32)28-15-5-10-23-29-21-8-2-3-9-22(21)30-23/h2-4,6-9,11-14H,5,10,15-16H2,1H3,(H,28,32)(H,29,30)
InChIKeyCQZHKGHXANKLOT-UHFFFAOYSA-N
MW531.47 g/mol
LogP5.20
Rot. Bonds9

About N-[3-(1H-benzimidazol-2-yl)propyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide

N-[3-(1H-benzimidazol-2-yl)propyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide (PubChem CID 69192060) has the molecular formula C25H24Cl2N4O3S and a molecular weight of 531.47 g/mol. Its IUPAC name is N-[3-(1H-benzimidazol-2-yl)propyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide.

Molecular Properties

Compound NameN-[3-(1H-benzimidazol-2-yl)propyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide
PubChem CID69192060
Molecular FormulaC25H24Cl2N4O3S
Molecular Weight531.47 g/mol
Exact Mass530.09
IUPAC NameN-[3-(1H-benzimidazol-2-yl)propyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide
SMILESCS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C25H24Cl2N4O3S/c1-35(33,34)31(16-18-6-4-7-20(26)24(18)27)19-13-11-17(12-14-19)25(32)28-15-5-10-23-29-21-8-2-3-9-22(21)30-23/h2-4,6-9,11-14H,5,10,15-16H2,1H3,(H,28,32)(H,29,30)
InChIKeyCQZHKGHXANKLOT-UHFFFAOYSA-N
XLogP5.20
TPSA95.16 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500531.47
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

Analyze N-[3-(1H-benzimidazol-2-yl)propyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide 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

N-(3-acetamidopropyl)-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide
CID 69183544
3-[3-(1H-benzimidazol-2-yl)propyl]-1-[(2,3-dichlorophenyl)methyl]-1-methylurea
CID 24612809
N-[3-(1H-benzimidazol-2-yl)propyl]-4-methylbenzamide
CID 134032779
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(prop-2-ynylsulfamoyl)benzamide
CID 17438166
N-[3-(1H-benzimidazol-2-yl)propyl]-2-methylpropanamide
CID 2140210
4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]-N-[(1S)-1-phenylethyl]benzamide
CID 69492654
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(dimethylsulfamoyl)benzamide
CID 4825744
N-[3-(1H-benzimidazol-2-yl)propyl]-3-(ethylsulfamoyl)benzamide
CID 30359896
N-[3-(1H-benzimidazol-2-yl)propyl]-2,3,5-trichloro-6-hydroxybenzamide
CID 112821054
N-[3-(1H-benzimidazol-2-yl)propyl]-4-(difluoromethylsulfanyl)benzamide
CID 41478889
N-[3-(1H-benzimidazol-2-yl)propyl]-6-methoxypyridine-3-carboxamide
CID 42151221
N-[2-(1H-benzimidazol-2-yl)ethyl]-4-(diethylsulfamoyl)benzamide
CID 21008890

Frequently Asked Questions

What is the IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide?
The IUPAC name of N-[3-(1H-benzimidazol-2-yl)propyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide (CID 69192060) is N-[3-(1H-benzimidazol-2-yl)propyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide.
What is the SMILES notation for N-[3-(1H-benzimidazol-2-yl)propyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide?
The canonical SMILES for N-[3-(1H-benzimidazol-2-yl)propyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide is CS(=O)(=O)N(Cc1cccc(Cl)c1Cl)c1ccc(C(=O)NCCCc2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[3-(1H-benzimidazol-2-yl)propyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide?
The InChIKey is CQZHKGHXANKLOT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24Cl2N4O3S/c1-35(33,34)31(16-18-6-4-7-20(26)24(18)27)19-13-11-17(12-14-19)25(32)28-15-5-10-23-29-21-8-2-3-9-22(21)30-23/h2-4,6-9,11-14H,5,10,15-16H2,1H3,(H,28,32)(H,29,30).
What are the key properties of N-[3-(1H-benzimidazol-2-yl)propyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide?
N-[3-(1H-benzimidazol-2-yl)propyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide has a molecular weight of 531.47 g/mol, XLogP of 5.20, 9 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(1H-benzimidazol-2-yl)propyl]-4-[(2,3-dichlorophenyl)methyl-methylsulfonylamino]benzamide is sourced from PubChem (CID 69192060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).