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

C26H27N3O5 — CID 17008563

IUPAC3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2nc3ccccc3n2CCOc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C26H27N3O5/c1-31-22-15-18(16-23(32-2)25(22)33-3)26(30)27-17-24-28-20-11-7-8-12-21(20)29(24)13-14-34-19-9-5-4-6-10-19/h4-12,15-16H,13-14,17H2,1-3H3,(H,27,30)
InChIKeyKFITUFWXEHSPKN-UHFFFAOYSA-N
MW461.52 g/mol
LogP4.07
Rot. Bonds10

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

3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide (PubChem CID 17008563) has the molecular formula C26H27N3O5 and a molecular weight of 461.52 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
PubChem CID17008563
Molecular FormulaC26H27N3O5
Molecular Weight461.52 g/mol
Exact Mass461.20
IUPAC Name3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
SMILESCOc1cc(C(=O)NCc2nc3ccccc3n2CCOc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C26H27N3O5/c1-31-22-15-18(16-23(32-2)25(22)33-3)26(30)27-17-24-28-20-11-7-8-12-21(20)29(24)13-14-34-19-9-5-4-6-10-19/h4-12,15-16H,13-14,17H2,1-3H3,(H,27,30)
InChIKeyKFITUFWXEHSPKN-UHFFFAOYSA-N
XLogP4.07
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500461.52
LogP ≤ 54.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4,5-trimethoxy-N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]benzamide
CID 17008633
3,4,5-trimethoxy-N-[[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]methyl]benzamide
CID 17008602
3,4,5-trimethoxy-N-[(1-pentylbenzimidazol-2-yl)methyl]benzamide
CID 5078150
N-[(1-ethylbenzimidazol-2-yl)methyl]-3,4,5-trimethoxybenzamide
CID 17008524
3,4,5-trimethoxy-N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide
CID 17009819
3,4,5-trimethoxy-N-[5-[1-(3-phenoxypropyl)benzimidazol-2-yl]pentyl]benzamide
CID 16991125
4-methoxy-N-[[1-[2-(3-methoxyphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008749
N-[[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]methyl]-3,4-dimethoxybenzamide
CID 17008426
3,4-dimethoxy-N-[[1-[2-(3-methylphenoxy)ethyl]benzimidazol-2-yl]methyl]benzamide
CID 17008425
N-[3-[1-[2-(4-tert-butylphenoxy)ethyl]benzimidazol-2-yl]propyl]-3,4,5-trimethoxybenzamide
CID 16983994
N-[[1-(2-bromoprop-2-enyl)benzimidazol-2-yl]methyl]-3,4,5-trimethoxybenzamide
CID 17008526
N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]acetamide
CID 17005925

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide (CID 17008563) is 3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide is COc1cc(C(=O)NCc2nc3ccccc3n2CCOc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide?
The InChIKey is KFITUFWXEHSPKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O5/c1-31-22-15-18(16-23(32-2)25(22)33-3)26(30)27-17-24-28-20-11-7-8-12-21(20)29(24)13-14-34-19-9-5-4-6-10-19/h4-12,15-16H,13-14,17H2,1-3H3,(H,27,30).
What are the key properties of 3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide?
3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide has a molecular weight of 461.52 g/mol, XLogP of 4.07, 10 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-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide is sourced from PubChem (CID 17008563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).