2-(2,5-dimethylphenoxy)-N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide

C28H31N3O4 — CID 16971317

IUPAC2-(2,5-dimethylphenoxy)-N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide
SMILESCOc1cccc(OCCCn2c(CNC(=O)COc3cc(C)ccc3C)nc3ccccc32)c1
InChIInChI=1S/C28H31N3O4/c1-20-12-13-21(2)26(16-20)35-19-28(32)29-18-27-30-24-10-4-5-11-25(24)31(27)14-7-15-34-23-9-6-8-22(17-23)33-3/h4-6,8-13,16-17H,7,14-15,18-19H2,1-3H3,(H,29,32)
InChIKeyHGZJYVMMXYNBFB-UHFFFAOYSA-N
MW473.57 g/mol
LogP4.83
Rot. Bonds11

About 2-(2,5-dimethylphenoxy)-N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide

2-(2,5-dimethylphenoxy)-N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide (PubChem CID 16971317) has the molecular formula C28H31N3O4 and a molecular weight of 473.57 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide
PubChem CID16971317
Molecular FormulaC28H31N3O4
Molecular Weight473.57 g/mol
Exact Mass473.23
IUPAC Name2-(2,5-dimethylphenoxy)-N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide
SMILESCOc1cccc(OCCCn2c(CNC(=O)COc3cc(C)ccc3C)nc3ccccc32)c1
InChIInChI=1S/C28H31N3O4/c1-20-12-13-21(2)26(16-20)35-19-28(32)29-18-27-30-24-10-4-5-11-25(24)31(27)14-7-15-34-23-9-6-8-22(17-23)33-3/h4-6,8-13,16-17H,7,14-15,18-19H2,1-3H3,(H,29,32)
InChIKeyHGZJYVMMXYNBFB-UHFFFAOYSA-N
XLogP4.83
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds11
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500473.57
LogP ≤ 54.83
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

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Related Compounds

2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978697
2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978686
2-(2,5-dimethylphenoxy)-N-[[1-[4-(4-ethylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 16971352
2-(2,5-dimethylphenoxy)-N-[2-[1-(3-naphthalen-2-yloxypropyl)benzimidazol-2-yl]ethyl]acetamide
CID 16978700
2-(4-chlorophenoxy)-N-[[1-[4-(2,5-dimethylphenoxy)butyl]benzimidazol-2-yl]methyl]acetamide
CID 16971175
2-[(2,5-dimethylphenoxy)methyl]-1-[4-(3-methoxyphenoxy)butyl]benzimidazole
CID 16998028
2-(2,5-dimethylphenoxy)-N-[5-[1-[3-(4-methylphenoxy)propyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993088
1-[3-(2,5-dimethylphenoxy)propyl]-2-[(3-methoxyphenoxy)methyl]benzimidazole
CID 16998119
N-[[1-[4-(3-methoxyphenoxy)butyl]benzimidazol-2-yl]methyl]-2-methylbenzamide
CID 17006891
N-[2-[1-[4-(4-chlorophenoxy)butyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16978720
2-(2,5-dimethylphenoxy)-N-[(1-prop-2-ynylbenzimidazol-2-yl)methyl]acetamide
CID 16971234
N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16978605

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide (CID 16971317) is 2-(2,5-dimethylphenoxy)-N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide is COc1cccc(OCCCn2c(CNC(=O)COc3cc(C)ccc3C)nc3ccccc32)c1.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide?
The InChIKey is HGZJYVMMXYNBFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C28H31N3O4/c1-20-12-13-21(2)26(16-20)35-19-28(32)29-18-27-30-24-10-4-5-11-25(24)31(27)14-7-15-34-23-9-6-8-22(17-23)33-3/h4-6,8-13,16-17H,7,14-15,18-19H2,1-3H3,(H,29,32).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide?
2-(2,5-dimethylphenoxy)-N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide has a molecular weight of 473.57 g/mol, XLogP of 4.83, 11 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[[1-[3-(3-methoxyphenoxy)propyl]benzimidazol-2-yl]methyl]acetamide is sourced from PubChem (CID 16971317), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).