N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide

C26H25Cl2N3O — CID 16982530

IUPACN-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCc2nc3ccccc3n2Cc2c(Cl)cccc2Cl)c(C)c1
InChIInChI=1S/C26H25Cl2N3O/c1-17-12-13-19(18(2)15-17)26(32)29-14-6-11-25-30-23-9-3-4-10-24(23)31(25)16-20-21(27)7-5-8-22(20)28/h3-5,7-10,12-13,15H,6,11,14,16H2,1-2H3,(H,29,32)
InChIKeyNJIXJDCSNBZDOA-UHFFFAOYSA-N
MW466.41 g/mol
LogP6.37
Rot. Bonds7

About N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide

N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide (PubChem CID 16982530) has the molecular formula C26H25Cl2N3O and a molecular weight of 466.41 g/mol. Its IUPAC name is N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide.

Molecular Properties

Compound NameN-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide
PubChem CID16982530
Molecular FormulaC26H25Cl2N3O
Molecular Weight466.41 g/mol
Exact Mass465.14
IUPAC NameN-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide
SMILESCc1ccc(C(=O)NCCCc2nc3ccccc3n2Cc2c(Cl)cccc2Cl)c(C)c1
InChIInChI=1S/C26H25Cl2N3O/c1-17-12-13-19(18(2)15-17)26(32)29-14-6-11-25-30-23-9-3-4-10-24(23)31(25)16-20-21(27)7-5-8-22(20)28/h3-5,7-10,12-13,15H,6,11,14,16H2,1-2H3,(H,29,32)
InChIKeyNJIXJDCSNBZDOA-UHFFFAOYSA-N
XLogP6.37
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500466.41
LogP ≤ 56.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide 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

2,4-dimethyl-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989618
2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989614
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-fluorobenzamide
CID 16983008
2,4-dimethyl-N-[3-[1-(2-phenylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982548
2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16982516
2,4-dimethyl-N-[3-[1-(2-methylprop-2-enyl)benzimidazol-2-yl]propyl]benzamide
CID 16982506
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide
CID 16982514
2,4-dimethyl-N-[3-(1-methylbenzimidazol-2-yl)propyl]benzamide
CID 16982503
2,4-dimethyl-N-[3-[1-(3-phenylpropyl)benzimidazol-2-yl]propyl]benzamide
CID 16982550
2,4-dimethyl-N-[3-[1-(2-methylbutyl)benzimidazol-2-yl]propyl]benzamide
CID 16982511
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2-methylpropanamide
CID 16980824
N-[3-[1-[(2-chlorophenyl)methyl]benzimidazol-2-yl]propyl]-4-methylbenzamide
CID 16984277

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide?
The IUPAC name of N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide (CID 16982530) is N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide.
What is the SMILES notation for N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide?
The canonical SMILES for N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide is Cc1ccc(C(=O)NCCCc2nc3ccccc3n2Cc2c(Cl)cccc2Cl)c(C)c1.
What is the InChIKey of N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide?
The InChIKey is NJIXJDCSNBZDOA-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H25Cl2N3O/c1-17-12-13-19(18(2)15-17)26(32)29-14-6-11-25-30-23-9-3-4-10-24(23)31(25)16-20-21(27)7-5-8-22(20)28/h3-5,7-10,12-13,15H,6,11,14,16H2,1-2H3,(H,29,32).
What are the key properties of N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide?
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide has a molecular weight of 466.41 g/mol, XLogP of 6.37, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide is sourced from PubChem (CID 16982530), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).