2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide

C26H27N3O2 — CID 16976391

IUPAC2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2nc3ccccc3n2CCOc2ccccc2)c(C)c1
InChIInChI=1S/C26H27N3O2/c1-19-12-13-22(20(2)18-19)26(30)27-15-14-25-28-23-10-6-7-11-24(23)29(25)16-17-31-21-8-4-3-5-9-21/h3-13,18H,14-17H2,1-2H3,(H,27,30)
InChIKeySRDZAAMVRYYKMZ-UHFFFAOYSA-N
MW413.52 g/mol
LogP4.70
Rot. Bonds8

About 2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide

2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16976391) has the molecular formula C26H27N3O2 and a molecular weight of 413.52 g/mol. Its IUPAC name is 2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID16976391
Molecular FormulaC26H27N3O2
Molecular Weight413.52 g/mol
Exact Mass413.21
IUPAC Name2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCc1ccc(C(=O)NCCc2nc3ccccc3n2CCOc2ccccc2)c(C)c1
InChIInChI=1S/C26H27N3O2/c1-19-12-13-22(20(2)18-19)26(30)27-15-14-25-28-23-10-6-7-11-24(23)29(25)16-17-31-21-8-4-3-5-9-21/h3-13,18H,14-17H2,1-2H3,(H,27,30)
InChIKeySRDZAAMVRYYKMZ-UHFFFAOYSA-N
XLogP4.70
TPSA56.15 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500413.52
LogP ≤ 54.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)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

N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976414
N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976400
2,4-dimethyl-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17006996
N-[3-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide
CID 16982596
2,4-dimethyl-N-[5-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989680
2,4-dimethyl-N-[2-[1-(3-phenylpropyl)benzimidazol-2-yl]ethyl]benzamide
CID 16976389
N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976607
2-methyl-N-[5-[1-(2-phenoxyethyl)benzimidazol-2-yl]pentyl]benzamide
CID 16989479
2,4-dimethyl-N-[5-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]pentyl]benzamide
CID 16989642
N-[3-[1-[4-(4-chloro-3,5-dimethylphenoxy)butyl]benzimidazol-2-yl]propyl]-2,4-dimethylbenzamide
CID 16982662
2,4-dimethyl-N-[[1-[4-(4-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007092
N-[2-[1-[3-(2-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976429

Frequently Asked Questions

What is the IUPAC name of 2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide (CID 16976391) is 2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide is Cc1ccc(C(=O)NCCc2nc3ccccc3n2CCOc2ccccc2)c(C)c1.
What is the InChIKey of 2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is SRDZAAMVRYYKMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O2/c1-19-12-13-22(20(2)18-19)26(30)27-15-14-25-28-23-10-6-7-11-24(23)29(25)16-17-31-21-8-4-3-5-9-21/h3-13,18H,14-17H2,1-2H3,(H,27,30).
What are the key properties of 2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide?
2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 413.52 g/mol, XLogP of 4.70, 8 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-dimethyl-N-[2-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16976391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).