N-(2-methoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide

C18H16N4O4 — CID 1316869

IUPACN-(2-methoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1cncc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H16N4O4/c1-26-17-5-3-2-4-15(17)20-18(23)11-21-12-19-10-16(21)13-6-8-14(9-7-13)22(24)25/h2-10,12H,11H2,1H3,(H,20,23)
InChIKeyHQPREYZRDUOZHK-UHFFFAOYSA-N
MW352.35 g/mol
LogP3.11
Rot. Bonds6

About N-(2-methoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide

N-(2-methoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide (PubChem CID 1316869) has the molecular formula C18H16N4O4 and a molecular weight of 352.35 g/mol. Its IUPAC name is N-(2-methoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(2-methoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide
PubChem CID1316869
Molecular FormulaC18H16N4O4
Molecular Weight352.35 g/mol
Exact Mass352.12
IUPAC NameN-(2-methoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide
SMILESCOc1ccccc1NC(=O)Cn1cncc1-c1ccc([N+](=O)[O-])cc1
InChIInChI=1S/C18H16N4O4/c1-26-17-5-3-2-4-15(17)20-18(23)11-21-12-19-10-16(21)13-6-8-14(9-7-13)22(24)25/h2-10,12H,11H2,1H3,(H,20,23)
InChIKeyHQPREYZRDUOZHK-UHFFFAOYSA-N
XLogP3.11
TPSA99.29 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500352.35
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of N-(2-methoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide?
The IUPAC name of N-(2-methoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide (CID 1316869) is N-(2-methoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-(2-methoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide?
The canonical SMILES for N-(2-methoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide is COc1ccccc1NC(=O)Cn1cncc1-c1ccc([N+](=O)[O-])cc1.
What is the InChIKey of N-(2-methoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide?
The InChIKey is HQPREYZRDUOZHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H16N4O4/c1-26-17-5-3-2-4-15(17)20-18(23)11-21-12-19-10-16(21)13-6-8-14(9-7-13)22(24)25/h2-10,12H,11H2,1H3,(H,20,23).
What are the key properties of N-(2-methoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide?
N-(2-methoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide has a molecular weight of 352.35 g/mol, XLogP of 3.11, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-methoxyphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 1316869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).