3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide

C26H27N3O — CID 16983159

IUPAC3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
SMILESCc1cccc(C(=O)NCCCc2nc3ccccc3n2Cc2ccccc2C)c1
InChIInChI=1S/C26H27N3O/c1-19-9-7-12-21(17-19)26(30)27-16-8-15-25-28-23-13-5-6-14-24(23)29(25)18-22-11-4-3-10-20(22)2/h3-7,9-14,17H,8,15-16,18H2,1-2H3,(H,27,30)
InChIKeySMKYWADMVJHQIL-UHFFFAOYSA-N
MW397.52 g/mol
LogP5.06
Rot. Bonds7

About 3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide

3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide (PubChem CID 16983159) has the molecular formula C26H27N3O and a molecular weight of 397.52 g/mol. Its IUPAC name is 3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide.

Molecular Properties

Compound Name3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
PubChem CID16983159
Molecular FormulaC26H27N3O
Molecular Weight397.52 g/mol
Exact Mass397.22
IUPAC Name3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
SMILESCc1cccc(C(=O)NCCCc2nc3ccccc3n2Cc2ccccc2C)c1
InChIInChI=1S/C26H27N3O/c1-19-9-7-12-21(17-19)26(30)27-16-8-15-25-28-23-13-5-6-14-24(23)29(25)18-22-11-4-3-10-20(22)2/h3-7,9-14,17H,8,15-16,18H2,1-2H3,(H,27,30)
InChIKeySMKYWADMVJHQIL-UHFFFAOYSA-N
XLogP5.06
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500397.52
LogP ≤ 55.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 3-methyl-N-[3-[1-[(2-methylphenyl)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

N-[3-[1-(2-amino-2-oxoethyl)benzimidazol-2-yl]propyl]-3-methylbenzamide
CID 17031577
N-[3-(1-heptylbenzimidazol-2-yl)propyl]-3-methylbenzamide
CID 16983150
N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-2-(2-methylphenyl)acetamide
CID 16985043
2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989614
2-fluoro-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983003
4-bromo-N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16984734
N-[3-[1-[(2,5-dimethylphenyl)methyl]benzimidazol-2-yl]propyl]-3,4-dimethoxybenzamide
CID 4656833
N-[5-[1-[(3-bromophenyl)methyl]benzimidazol-2-yl]pentyl]-3-methylbenzamide
CID 16990274
N-[2-[1-[(4-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-3-methylbenzamide
CID 16977611
3-methyl-N-[5-(1-octadecylbenzimidazol-2-yl)pentyl]benzamide
CID 16990259
3-methyl-N-[5-[1-[(4-propan-2-ylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990280
N-[3-[1-[(2,3,5,6-tetramethylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16982208

Frequently Asked Questions

What is the IUPAC name of 3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The IUPAC name of 3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide (CID 16983159) is 3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide.
What is the SMILES notation for 3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The canonical SMILES for 3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide is Cc1cccc(C(=O)NCCCc2nc3ccccc3n2Cc2ccccc2C)c1.
What is the InChIKey of 3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
The InChIKey is SMKYWADMVJHQIL-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O/c1-19-9-7-12-21(17-19)26(30)27-16-8-15-25-28-23-13-5-6-14-24(23)29(25)18-22-11-4-3-10-20(22)2/h3-7,9-14,17H,8,15-16,18H2,1-2H3,(H,27,30).
What are the key properties of 3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide?
3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide has a molecular weight of 397.52 g/mol, XLogP of 5.06, 7 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide is sourced from PubChem (CID 16983159), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).