2-(2,5-dimethylphenoxy)-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

C27H29N3O3 — CID 16978639

IUPAC2-(2,5-dimethylphenoxy)-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCOc1ccccc1Cn1c(CCNC(=O)COc2cc(C)ccc2C)nc2ccccc21
InChIInChI=1S/C27H29N3O3/c1-19-12-13-20(2)25(16-19)33-18-27(31)28-15-14-26-29-22-9-5-6-10-23(22)30(26)17-21-8-4-7-11-24(21)32-3/h4-13,16H,14-15,17-18H2,1-3H3,(H,28,31)
InChIKeyDJODCEGPJNPPPX-UHFFFAOYSA-N
MW443.55 g/mol
LogP4.45
Rot. Bonds9

About 2-(2,5-dimethylphenoxy)-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide

2-(2,5-dimethylphenoxy)-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (PubChem CID 16978639) has the molecular formula C27H29N3O3 and a molecular weight of 443.55 g/mol. Its IUPAC name is 2-(2,5-dimethylphenoxy)-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.

Molecular Properties

Compound Name2-(2,5-dimethylphenoxy)-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
PubChem CID16978639
Molecular FormulaC27H29N3O3
Molecular Weight443.55 g/mol
Exact Mass443.22
IUPAC Name2-(2,5-dimethylphenoxy)-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide
SMILESCOc1ccccc1Cn1c(CCNC(=O)COc2cc(C)ccc2C)nc2ccccc21
InChIInChI=1S/C27H29N3O3/c1-19-12-13-20(2)25(16-19)33-18-27(31)28-15-14-26-29-22-9-5-6-10-23(22)30(26)17-21-8-4-7-11-24(21)32-3/h4-13,16H,14-15,17-18H2,1-3H3,(H,28,31)
InChIKeyDJODCEGPJNPPPX-UHFFFAOYSA-N
XLogP4.45
TPSA65.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.55
LogP ≤ 54.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[2-(1-butylbenzimidazol-2-yl)ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16978605
2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(4-methoxyphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978697
2-(2,5-dimethylphenoxy)-N-[3-[1-[(4-methoxyphenyl)methyl]benzimidazol-2-yl]propyl]acetamide
CID 16986572
2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-ethoxyphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978656
N-[2-[1-[(2-chloro-6-fluorophenyl)methyl]benzimidazol-2-yl]ethyl]-2-(2,5-dimethylphenoxy)acetamide
CID 16978626
propan-2-yl 2-[2-[2-[[2-(2,5-dimethylphenoxy)acetyl]amino]ethyl]benzimidazol-1-yl]acetate
CID 16978750
N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]-2-methylbenzamide
CID 16975906
methyl 2-[2-[3-[[2-(2,5-dimethylphenoxy)acetyl]amino]propyl]benzimidazol-1-yl]acetate
CID 16986685
2-(2,5-dimethylphenoxy)-N-[2-[1-[2-(2-propan-2-ylphenoxy)ethyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978654
2-(2,5-dimethylphenoxy)-N-[5-[1-[(2,4,6-trimethylphenyl)methyl]benzimidazol-2-yl]pentyl]acetamide
CID 16993020
2-(2,5-dimethylphenoxy)-N-[2-[1-[3-(3-methylphenoxy)propyl]benzimidazol-2-yl]ethyl]acetamide
CID 16978686
N-[2-[1-[2-(2,5-dimethylphenoxy)ethyl]benzimidazol-2-yl]ethyl]-2-(4-methoxyphenyl)acetamide
CID 16979605

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethylphenoxy)-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The IUPAC name of 2-(2,5-dimethylphenoxy)-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide (CID 16978639) is 2-(2,5-dimethylphenoxy)-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide.
What is the SMILES notation for 2-(2,5-dimethylphenoxy)-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The canonical SMILES for 2-(2,5-dimethylphenoxy)-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is COc1ccccc1Cn1c(CCNC(=O)COc2cc(C)ccc2C)nc2ccccc21.
What is the InChIKey of 2-(2,5-dimethylphenoxy)-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
The InChIKey is DJODCEGPJNPPPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C27H29N3O3/c1-19-12-13-20(2)25(16-19)33-18-27(31)28-15-14-26-29-22-9-5-6-10-23(22)30(26)17-21-8-4-7-11-24(21)32-3/h4-13,16H,14-15,17-18H2,1-3H3,(H,28,31).
What are the key properties of 2-(2,5-dimethylphenoxy)-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide?
2-(2,5-dimethylphenoxy)-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide has a molecular weight of 443.55 g/mol, XLogP of 4.45, 9 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethylphenoxy)-N-[2-[1-[(2-methoxyphenyl)methyl]benzimidazol-2-yl]ethyl]acetamide is sourced from PubChem (CID 16978639), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).