3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide

C25H24ClN3O — CID 17008237

IUPAC3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1cc(C)c(Cn2c(CNC(=O)c3cccc(Cl)c3)nc3ccccc32)c(C)c1
InChIInChI=1S/C25H24ClN3O/c1-16-11-17(2)21(18(3)12-16)15-29-23-10-5-4-9-22(23)28-24(29)14-27-25(30)19-7-6-8-20(26)13-19/h4-13H,14-15H2,1-3H3,(H,27,30)
InChIKeyAHEOEQPRHYRRIT-UHFFFAOYSA-N
MW417.94 g/mol
LogP5.59
Rot. Bonds5

About 3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide

3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17008237) has the molecular formula C25H24ClN3O and a molecular weight of 417.94 g/mol. Its IUPAC name is 3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17008237
Molecular FormulaC25H24ClN3O
Molecular Weight417.94 g/mol
Exact Mass417.16
IUPAC Name3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
SMILESCc1cc(C)c(Cn2c(CNC(=O)c3cccc(Cl)c3)nc3ccccc32)c(C)c1
InChIInChI=1S/C25H24ClN3O/c1-16-11-17(2)21(18(3)12-16)15-29-23-10-5-4-9-22(23)28-24(29)14-27-25(30)19-7-6-8-20(26)13-19/h4-13H,14-15H2,1-3H3,(H,27,30)
InChIKeyAHEOEQPRHYRRIT-UHFFFAOYSA-N
XLogP5.59
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500417.94
LogP ≤ 55.59
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]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

3-chloro-N-[[1-[(4-methylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008255
3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17007275
3-chloro-N-[(1-octadecylbenzimidazol-2-yl)methyl]benzamide
CID 17008230
3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977758
3-chloro-N-[[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008347
3-chloro-N-[[1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008370
N-[[1-[2-(4-chlorophenyl)-2-oxoethyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007398
3-chloro-N-[[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008310
3-bromo-N-[[1-[(2,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008080
3-methyl-N-[[1-[2-oxo-2-(propan-2-ylamino)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17029442
3-bromo-N-[[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008077
N-[[1-[(3,4-dichlorophenyl)methyl]benzimidazol-2-yl]methyl]-4-methylbenzamide
CID 17007129

Frequently Asked Questions

What is the IUPAC name of 3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide (CID 17008237) is 3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide is Cc1cc(C)c(Cn2c(CNC(=O)c3cccc(Cl)c3)nc3ccccc32)c(C)c1.
What is the InChIKey of 3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is AHEOEQPRHYRRIT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24ClN3O/c1-16-11-17(2)21(18(3)12-16)15-29-23-10-5-4-9-22(23)28-24(29)14-27-25(30)19-7-6-8-20(26)13-19/h4-13H,14-15H2,1-3H3,(H,27,30).
What are the key properties of 3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide?
3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 417.94 g/mol, XLogP of 5.59, 5 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17008237), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).