4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide

C26H27N3O4 — CID 16976738

IUPAC4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1ccc(OCCn2c(CCNC(=O)c3ccc(OC)cc3)nc3ccccc32)cc1
InChIInChI=1S/C26H27N3O4/c1-31-20-9-7-19(8-10-20)26(30)27-16-15-25-28-23-5-3-4-6-24(23)29(25)17-18-33-22-13-11-21(32-2)12-14-22/h3-14H,15-18H2,1-2H3,(H,27,30)
InChIKeyNUHFLMYZVJVGNC-UHFFFAOYSA-N
MW445.52 g/mol
LogP4.11
Rot. Bonds10

About 4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide

4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide (PubChem CID 16976738) has the molecular formula C26H27N3O4 and a molecular weight of 445.52 g/mol. Its IUPAC name is 4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide.

Molecular Properties

Compound Name4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
PubChem CID16976738
Molecular FormulaC26H27N3O4
Molecular Weight445.52 g/mol
Exact Mass445.20
IUPAC Name4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
SMILESCOc1ccc(OCCn2c(CCNC(=O)c3ccc(OC)cc3)nc3ccccc32)cc1
InChIInChI=1S/C26H27N3O4/c1-31-20-9-7-19(8-10-20)26(30)27-16-15-25-28-23-5-3-4-6-24(23)29(25)17-18-33-22-13-11-21(32-2)12-14-22/h3-14H,15-18H2,1-2H3,(H,27,30)
InChIKeyNUHFLMYZVJVGNC-UHFFFAOYSA-N
XLogP4.11
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds10
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500445.52
LogP ≤ 54.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-chloro-N-[2-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977241
4-methoxy-N-[2-[1-[4-(4-propan-2-ylphenoxy)butyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976791
N-[5-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991278
4-methyl-N-[2-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]benzamide
CID 16976598
N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2,4-dimethylbenzamide
CID 16976414
N-[2-(1-ethylbenzimidazol-2-yl)ethyl]-4-methoxybenzamide
CID 16976665
N-[3-[1-[4-(4-methoxyphenoxy)butyl]benzimidazol-2-yl]propyl]benzamide
CID 16982302
4-methoxy-N-[2-(1-undecylbenzimidazol-2-yl)ethyl]benzamide
CID 16976682
4-bromo-N-[2-[1-[2-(4-chlorophenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide
CID 16977496
N-[2-[1-[2-(3,4-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-4-methylbenzamide
CID 16976607
N-[5-[1-[2-(3,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]pentyl]-4-methoxybenzamide
CID 16991275
N-[2-[1-[4-(2,6-dimethylphenoxy)butyl]benzimidazol-2-yl]ethyl]-4-methoxybenzamide
CID 16976774

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The IUPAC name of 4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide (CID 16976738) is 4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide.
What is the SMILES notation for 4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The canonical SMILES for 4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide is COc1ccc(OCCn2c(CCNC(=O)c3ccc(OC)cc3)nc3ccccc32)cc1.
What is the InChIKey of 4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
The InChIKey is NUHFLMYZVJVGNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H27N3O4/c1-31-20-9-7-19(8-10-20)26(30)27-16-15-25-28-23-5-3-4-6-24(23)29(25)17-18-33-22-13-11-21(32-2)12-14-22/h3-14H,15-18H2,1-2H3,(H,27,30).
What are the key properties of 4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide?
4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide has a molecular weight of 445.52 g/mol, XLogP of 4.11, 10 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-[2-[1-[2-(4-methoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]benzamide is sourced from PubChem (CID 16976738), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).