3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide

C28H31N3O5 — CID 17008602

IUPAC3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2nc3ccccc3n2CCCOc2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C28H31N3O5/c1-19-9-7-10-21(15-19)36-14-8-13-31-23-12-6-5-11-22(23)30-26(31)18-29-28(32)20-16-24(33-2)27(35-4)25(17-20)34-3/h5-7,9-12,15-17H,8,13-14,18H2,1-4H3,(H,29,32)
InChIKeySJLMVPSUAHGACS-UHFFFAOYSA-N
MW489.57 g/mol
LogP4.77
Rot. Bonds11

About 3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide

3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide (PubChem CID 17008602) has the molecular formula C28H31N3O5 and a molecular weight of 489.57 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
PubChem CID17008602
Molecular FormulaC28H31N3O5
Molecular Weight489.57 g/mol
Exact Mass489.23
IUPAC Name3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2nc3ccccc3n2CCCOc2cccc(C)c2)cc(OC)c1OC
InChIInChI=1S/C28H31N3O5/c1-19-9-7-10-21(15-19)36-14-8-13-31-23-12-6-5-11-22(23)30-26(31)18-29-28(32)20-16-24(33-2)27(35-4)25(17-20)34-3/h5-7,9-12,15-17H,8,13-14,18H2,1-4H3,(H,29,32)
InChIKeySJLMVPSUAHGACS-UHFFFAOYSA-N
XLogP4.77
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds11
Heavy Atoms36
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500489.57
LogP ≤ 54.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

Analyze 3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]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

3,4,5-trimethoxy-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977057
3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008633
3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008563
3-methyl-N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17007362
3,4-dimethoxy-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008425
3-methyl-N-[[1-(3-phenoxypropyl)benzimidazol-2-yl]methyl]benzamide
CID 17007320
N-[[1-[3-(3,5-dimethylphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007335
3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 5078150
N-[[1-[3-(2-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]-3-methylbenzamide
CID 17007329
3,4-dimethoxy-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976904
N-[2-[1-[3-(3,4-dimethylphenoxy)propyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 16977064
N-[[1-[4-(3-methylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 17005993

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide (CID 17008602) is 3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide is COc1cc(C(=O)NCc2nc3ccccc3n2CCCOc2cccc(C)c2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide?
The InChIKey is SJLMVPSUAHGACS-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O5/c1-19-9-7-10-21(15-19)36-14-8-13-31-23-12-6-5-11-22(23)30-26(31)18-29-28(32)20-16-24(33-2)27(35-4)25(17-20)34-3/h5-7,9-12,15-17H,8,13-14,18H2,1-4H3,(H,29,32).
What are the key properties of 3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide?
3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide has a molecular weight of 489.57 g/mol, XLogP of 4.77, 11 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17008602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).