2-(2-methyl-5-nitroimidazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide

C15H18N4O3 — CID 1051624

IUPAC2-(2-methyl-5-nitroimidazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2c([N+](=O)[O-])cnc2C)c(C)c1
InChIInChI=1S/C15H18N4O3/c1-9-5-10(2)15(11(3)6-9)17-13(20)8-18-12(4)16-7-14(18)19(21)22/h5-7H,8H2,1-4H3,(H,17,20)
InChIKeyASMNJBKJJULHEK-UHFFFAOYSA-N
MW302.33 g/mol
LogP2.66
Rot. Bonds4

About 2-(2-methyl-5-nitroimidazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide

2-(2-methyl-5-nitroimidazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide (PubChem CID 1051624) has the molecular formula C15H18N4O3 and a molecular weight of 302.33 g/mol. Its IUPAC name is 2-(2-methyl-5-nitroimidazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide.

Molecular Properties

Compound Name2-(2-methyl-5-nitroimidazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
PubChem CID1051624
Molecular FormulaC15H18N4O3
Molecular Weight302.33 g/mol
Exact Mass302.14
IUPAC Name2-(2-methyl-5-nitroimidazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide
SMILESCc1cc(C)c(NC(=O)Cn2c([N+](=O)[O-])cnc2C)c(C)c1
InChIInChI=1S/C15H18N4O3/c1-9-5-10(2)15(11(3)6-9)17-13(20)8-18-12(4)16-7-14(18)19(21)22/h5-7H,8H2,1-4H3,(H,17,20)
InChIKeyASMNJBKJJULHEK-UHFFFAOYSA-N
XLogP2.66
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.33
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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 2-(2-methyl-5-nitroimidazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The IUPAC name of 2-(2-methyl-5-nitroimidazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide (CID 1051624) is 2-(2-methyl-5-nitroimidazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide.
What is the SMILES notation for 2-(2-methyl-5-nitroimidazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The canonical SMILES for 2-(2-methyl-5-nitroimidazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide is Cc1cc(C)c(NC(=O)Cn2c([N+](=O)[O-])cnc2C)c(C)c1.
What is the InChIKey of 2-(2-methyl-5-nitroimidazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
The InChIKey is ASMNJBKJJULHEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O3/c1-9-5-10(2)15(11(3)6-9)17-13(20)8-18-12(4)16-7-14(18)19(21)22/h5-7H,8H2,1-4H3,(H,17,20).
What are the key properties of 2-(2-methyl-5-nitroimidazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide?
2-(2-methyl-5-nitroimidazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide has a molecular weight of 302.33 g/mol, XLogP of 2.66, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methyl-5-nitroimidazol-1-yl)-N-(2,4,6-trimethylphenyl)acetamide is sourced from PubChem (CID 1051624), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).