N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide

C28H31N3O — CID 16982208

IUPACN-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
SMILESCc1cc(C)c(C)c(Cn2c(CCCNC(=O)c3ccccc3)nc3ccccc32)c1C
InChIInChI=1S/C28H31N3O/c1-19-17-20(2)22(4)24(21(19)3)18-31-26-14-9-8-13-25(26)30-27(31)15-10-16-29-28(32)23-11-6-5-7-12-23/h5-9,11-14,17H,10,15-16,18H2,1-4H3,(H,29,32)
InChIKeyHOZVDZCSZWAWAO-UHFFFAOYSA-N
MW425.58 g/mol
LogP5.68
Rot. Bonds7

About N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide

N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16982208) has the molecular formula C28H31N3O and a molecular weight of 425.58 g/mol. Its IUPAC name is N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound NameN-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
PubChem CID16982208
Molecular FormulaC28H31N3O
Molecular Weight425.58 g/mol
Exact Mass425.25
IUPAC NameN-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
SMILESCc1cc(C)c(C)c(Cn2c(CCCNC(=O)c3ccccc3)nc3ccccc32)c1C
InChIInChI=1S/C28H31N3O/c1-19-17-20(2)22(4)24(21(19)3)18-31-26-14-9-8-13-25(26)30-27(31)15-10-16-29-28(32)23-11-6-5-7-12-23/h5-9,11-14,17H,10,15-16,18H2,1-4H3,(H,29,32)
InChIKeyHOZVDZCSZWAWAO-UHFFFAOYSA-N
XLogP5.68
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500425.58
LogP ≤ 55.68
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-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]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
2-(4-phenylphenyl)-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
CID 16985855
3-phenyl-N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]propanamide
CID 16986017
N-[3-(1-benzylbenzimidazol-2-yl)propyl]-4-methylbenzamide
CID 16984267
4-fluoro-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16991724
N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]oxolane-2-carboxamide
CID 16981794
N-[3-[1-(naphthalen-1-ylmethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982222
3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983159
N-[3-(1-undecylbenzimidazol-2-yl)propyl]benzamide
CID 16982202
4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984734
N-[5-(1-ethylbenzimidazol-2-yl)pentyl]benzamide
CID 16989267
3-methyl-N-[[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]methyl]benzamide
CID 17007275

Frequently Asked Questions

What is the IUPAC name of N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide (CID 16982208) is N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide is Cc1cc(C)c(C)c(Cn2c(CCCNC(=O)c3ccccc3)nc3ccccc32)c1C.
What is the InChIKey of N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The InChIKey is HOZVDZCSZWAWAO-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O/c1-19-17-20(2)22(4)24(21(19)3)18-31-26-14-9-8-13-25(26)30-27(31)15-10-16-29-28(32)23-11-6-5-7-12-23/h5-9,11-14,17H,10,15-16,18H2,1-4H3,(H,29,32).
What are the key properties of N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 425.58 g/mol, XLogP of 5.68, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16982208), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).