2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide

C29H33N3O — CID 16989614

IUPAC2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
SMILESCc1ccc(C(=O)NCCCCCc2nc3ccccc3n2Cc2ccccc2C)c(C)c1
InChIInChI=1S/C29H33N3O/c1-21-16-17-25(23(3)19-21)29(33)30-18-10-4-5-15-28-31-26-13-8-9-14-27(26)32(28)20-24-12-7-6-11-22(24)2/h6-9,11-14,16-17,19H,4-5,10,15,18,20H2,1-3H3,(H,30,33)
InChIKeyYYCLZSWGHBIEQC-UHFFFAOYSA-N
MW439.60 g/mol
LogP6.15
Rot. Bonds9

About 2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide

2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide (PubChem CID 16989614) has the molecular formula C29H33N3O and a molecular weight of 439.60 g/mol. Its IUPAC name is 2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
PubChem CID16989614
Molecular FormulaC29H33N3O
Molecular Weight439.60 g/mol
Exact Mass439.26
IUPAC Name2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
SMILESCc1ccc(C(=O)NCCCCCc2nc3ccccc3n2Cc2ccccc2C)c(C)c1
InChIInChI=1S/C29H33N3O/c1-21-16-17-25(23(3)19-21)29(33)30-18-10-4-5-15-28-31-26-13-8-9-14-27(26)32(28)20-24-12-7-6-11-22(24)2/h6-9,11-14,16-17,19H,4-5,10,15,18,20H2,1-3H3,(H,30,33)
InChIKeyYYCLZSWGHBIEQC-UHFFFAOYSA-N
XLogP6.15
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500439.60
LogP ≤ 56.15
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]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

2,4-dimethyl-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989618
2,4-dimethyl-N-[5-(1-undecylbenzimidazol-2-yl)pentyl]benzamide
CID 16989608
2-methoxy-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide
CID 16990100
2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989642
2,4-dimethyl-N-[3-(1-octylbenzimidazol-2-yl)propyl]benzamide
CID 16982516
N-[3-(1-hexylbenzimidazol-2-yl)propyl]-2,4-dimethylbenzamide
CID 16982514
N-[3-[1-[(2,6-dichlorophenyl)methyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide
CID 16982530
N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]-2-phenylacetamide
CID 16993340
N-[5-[1-[2-(azepan-1-yl)-2-oxoethyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989734
N-[5-[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]pentyl]-2,4-dimethylbenzamide
CID 16989701
2,4-dimethyl-N-[3-[1-(2-phenylethyl)benzimidazol-2-yl]propyl]benzamide
CID 16982548
3-methyl-N-[3-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]propyl]benzamide
CID 16983159

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide (CID 16989614) is 2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide is Cc1ccc(C(=O)NCCCCCc2nc3ccccc3n2Cc2ccccc2C)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide?
The InChIKey is YYCLZSWGHBIEQC-UHFFFAOYSA-N. The full InChI is InChI=1S/C29H33N3O/c1-21-16-17-25(23(3)19-21)29(33)30-18-10-4-5-15-28-31-26-13-8-9-14-27(26)32(28)20-24-12-7-6-11-22(24)2/h6-9,11-14,16-17,19H,4-5,10,15,18,20H2,1-3H3,(H,30,33).
What are the key properties of 2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide?
2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide has a molecular weight of 439.60 g/mol, XLogP of 6.15, 9 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[5-[1-[(2-methylphenyl)methyl]benzimidazol-2-yl]pentyl]benzamide is sourced from PubChem (CID 16989614), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).