2-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

C15H19N3O4 — CID 36795698

IUPAC2-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)Cn1ccnc1
InChIInChI=1S/C15H19N3O4/c1-20-12-7-14(22-3)13(21-2)6-11(12)8-17-15(19)9-18-5-4-16-10-18/h4-7,10H,8-9H2,1-3H3,(H,17,19)
InChIKeyHVYIUFWTANJCAV-UHFFFAOYSA-N
MW305.33 g/mol
LogP1.23
Rot. Bonds7

About 2-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide

2-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (PubChem CID 36795698) has the molecular formula C15H19N3O4 and a molecular weight of 305.33 g/mol. Its IUPAC name is 2-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.

Molecular Properties

Compound Name2-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
PubChem CID36795698
Molecular FormulaC15H19N3O4
Molecular Weight305.33 g/mol
Exact Mass305.14
IUPAC Name2-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
SMILESCOc1cc(OC)c(OC)cc1CNC(=O)Cn1ccnc1
InChIInChI=1S/C15H19N3O4/c1-20-12-7-14(22-3)13(21-2)6-11(12)8-17-15(19)9-18-5-4-16-10-18/h4-7,10H,8-9H2,1-3H3,(H,17,19)
InChIKeyHVYIUFWTANJCAV-UHFFFAOYSA-N
XLogP1.23
TPSA74.61 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.33
LogP ≤ 51.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

(2R)-1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine
CID 38061827
1-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propan-2-amine;hydrochloride
CID 47030748
(2S)-2-pyrazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 35714023
2-amino-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 60672524
2-(4-methylpiperidin-1-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 8558421
3-bromo-N-[(2,4,5-trimethoxyphenyl)methyl]propanamide
CID 113385120
N-[[2-(2,4-difluorophenoxy)-3-pyridinyl]methyl]-2-imidazol-1-ylacetamide
CID 26412943
N-ethyl-2-imidazol-1-ylacetamide;molecular hydrogen
CID 177063999
2-(6-methyl-4-oxoquinazolin-3-yl)-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 46484361
N-[(2,4,5-trimethoxyphenyl)methyl]-2-(2,4,5-trioxo-3-propylimidazolidin-1-yl)acetamide
CID 8627196
2,2-difluoro-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide
CID 103602966
1-[[2-(imidazol-1-ylmethyl)phenyl]methyl]-3-(3,4,5-trimethoxyphenyl)urea
CID 55472347

Frequently Asked Questions

What is the IUPAC name of 2-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The IUPAC name of 2-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide (CID 36795698) is 2-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide.
What is the SMILES notation for 2-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The canonical SMILES for 2-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is COc1cc(OC)c(OC)cc1CNC(=O)Cn1ccnc1.
What is the InChIKey of 2-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
The InChIKey is HVYIUFWTANJCAV-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H19N3O4/c1-20-12-7-14(22-3)13(21-2)6-11(12)8-17-15(19)9-18-5-4-16-10-18/h4-7,10H,8-9H2,1-3H3,(H,17,19).
What are the key properties of 2-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide?
2-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide has a molecular weight of 305.33 g/mol, XLogP of 1.23, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-imidazol-1-yl-N-[(2,4,5-trimethoxyphenyl)methyl]acetamide is sourced from PubChem (CID 36795698), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).