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

C26H26BrN3O — CID 16977758

IUPAC3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1cc(C)c(Cn2c(CCNC(=O)c3cccc(Br)c3)nc3ccccc32)c(C)c1
InChIInChI=1S/C26H26BrN3O/c1-17-13-18(2)22(19(3)14-17)16-30-24-10-5-4-9-23(24)29-25(30)11-12-28-26(31)20-7-6-8-21(27)15-20/h4-10,13-15H,11-12,16H2,1-3H3,(H,28,31)
InChIKeyDHLSMKWSQUAWMN-UHFFFAOYSA-N
MW476.42 g/mol
LogP5.74
Rot. Bonds6

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

3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16977758) has the molecular formula C26H26BrN3O and a molecular weight of 476.42 g/mol. Its IUPAC name is 3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16977758
Molecular FormulaC26H26BrN3O
Molecular Weight476.42 g/mol
Exact Mass475.13
IUPAC Name3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCc1cc(C)c(Cn2c(CCNC(=O)c3cccc(Br)c3)nc3ccccc32)c(C)c1
InChIInChI=1S/C26H26BrN3O/c1-17-13-18(2)22(19(3)14-17)16-30-24-10-5-4-9-23(24)29-25(30)11-12-28-26(31)20-7-6-8-21(27)15-20/h4-10,13-15H,11-12,16H2,1-3H3,(H,28,31)
InChIKeyDHLSMKWSQUAWMN-UHFFFAOYSA-N
XLogP5.74
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500476.42
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze 3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]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-bromo-N-[5-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990589
3-bromo-N-[2-[1-[2-(N-ethylanilino)-2-oxoethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977868
3-chloro-N-[[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17008237
3-bromo-N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
CID 16990563
N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990274
3-bromo-N-[2-[1-(2-oxo-2-pyrrolidin-1-ylethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977875
4-fluoro-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991724
3-bromo-N-[2-[1-(2-oxo-2-piperidin-1-ylethyl)benzimidazol-2-yl]ethyl]benzamide
CID 16977876
2,4-dimethyl-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989618
3-bromo-N-[3-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983329
N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16982208
3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983159

Frequently Asked Questions

What is the IUPAC name of 3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide (CID 16977758) is 3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is Cc1cc(C)c(Cn2c(CCNC(=O)c3cccc(Br)c3)nc3ccccc32)c(C)c1.
What is the InChIKey of 3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is DHLSMKWSQUAWMN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26BrN3O/c1-17-13-18(2)22(19(3)14-17)16-30-24-10-5-4-9-23(24)29-25(30)11-12-28-26(31)20-7-6-8-21(27)15-20/h4-10,13-15H,11-12,16H2,1-3H3,(H,28,31).
What are the key properties of 3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide?
3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 476.42 g/mol, XLogP of 5.74, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-N-[2-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16977758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).