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

C27H29N3O5 — CID 17009819

IUPAC3,4,5-trimethoxy-N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1cc(C(=O)NC(C)c2nc3ccccc3n2CCOc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C27H29N3O5/c1-18(28-27(31)19-16-23(32-2)25(34-4)24(17-19)33-3)26-29-21-12-8-9-13-22(21)30(26)14-15-35-20-10-6-5-7-11-20/h5-13,16-18H,14-15H2,1-4H3,(H,28,31)
InChIKeyLIUDOHSXHYSQDF-UHFFFAOYSA-N
MW475.55 g/mol
LogP4.63
Rot. Bonds10

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

3,4,5-trimethoxy-N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide (PubChem CID 17009819) has the molecular formula C27H29N3O5 and a molecular weight of 475.55 g/mol. Its IUPAC name is 3,4,5-trimethoxy-N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name3,4,5-trimethoxy-N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide
PubChem CID17009819
Molecular FormulaC27H29N3O5
Molecular Weight475.55 g/mol
Exact Mass475.21
IUPAC Name3,4,5-trimethoxy-N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1cc(C(=O)NC(C)c2nc3ccccc3n2CCOc2ccccc2)cc(OC)c1OC
InChIInChI=1S/C27H29N3O5/c1-18(28-27(31)19-16-23(32-2)25(34-4)24(17-19)33-3)26-29-21-12-8-9-13-22(21)30(26)14-15-35-20-10-6-5-7-11-20/h5-13,16-18H,14-15H2,1-4H3,(H,28,31)
InChIKeyLIUDOHSXHYSQDF-UHFFFAOYSA-N
XLogP4.63
TPSA83.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds10
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500475.55
LogP ≤ 54.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

3,4,5-trimethoxy-N-[1-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009864
3,4,5-trimethoxy-N-[1-[1-[2-(2-methylphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009820
N-[1-[1-[3-(4-chlorophenoxy)propyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009863
N-[1-[1-[2-(2,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009822
N-[1-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009823
N-[1-(1-dodecylbenzimidazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 17009789
N-[1-(1-hexadecylbenzimidazol-2-yl)ethyl]-3,4,5-trimethoxybenzamide
CID 17009790
3,4,5-trimethoxy-N-[[1-(2-phenoxyethyl)benzimidazol-2-yl]methyl]benzamide
CID 17008563
N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]pyridine-3-carboxamide
CID 16963792
N-[1-[1-(2-cyclohexylethyl)benzimidazol-2-yl]ethyl]-3,4,5-trimethoxybenzamide
CID 17009816
N-[1-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16967368
3,4,5-trimethoxy-N-[1-[1-[4-(5-methyl-2-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 17009880

Frequently Asked Questions

What is the IUPAC name of 3,4,5-trimethoxy-N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 3,4,5-trimethoxy-N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide (CID 17009819) is 3,4,5-trimethoxy-N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 3,4,5-trimethoxy-N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 3,4,5-trimethoxy-N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide is COc1cc(C(=O)NC(C)c2nc3ccccc3n2CCOc2ccccc2)cc(OC)c1OC.
What is the InChIKey of 3,4,5-trimethoxy-N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is LIUDOHSXHYSQDF-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O5/c1-18(28-27(31)19-16-23(32-2)25(34-4)24(17-19)33-3)26-29-21-12-8-9-13-22(21)30(26)14-15-35-20-10-6-5-7-11-20/h5-13,16-18H,14-15H2,1-4H3,(H,28,31).
What are the key properties of 3,4,5-trimethoxy-N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide?
3,4,5-trimethoxy-N-[1-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 475.55 g/mol, XLogP of 4.63, 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-[1-(2-phenoxyethyl)benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 17009819), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).