N-(3,4-dimethylphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide

C19H18N4O3 — CID 1292322

IUPACN-(3,4-dimethylphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cncc2-c2ccc([N+](=O)[O-])cc2)cc1C
InChIInChI=1S/C19H18N4O3/c1-13-3-6-16(9-14(13)2)21-19(24)11-22-12-20-10-18(22)15-4-7-17(8-5-15)23(25)26/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyUURVDVLIZLQZSU-UHFFFAOYSA-N
MW350.38 g/mol
LogP3.71
Rot. Bonds5

About N-(3,4-dimethylphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide

N-(3,4-dimethylphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide (PubChem CID 1292322) has the molecular formula C19H18N4O3 and a molecular weight of 350.38 g/mol. Its IUPAC name is N-(3,4-dimethylphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-(3,4-dimethylphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide
PubChem CID1292322
Molecular FormulaC19H18N4O3
Molecular Weight350.38 g/mol
Exact Mass350.14
IUPAC NameN-(3,4-dimethylphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide
SMILESCc1ccc(NC(=O)Cn2cncc2-c2ccc([N+](=O)[O-])cc2)cc1C
InChIInChI=1S/C19H18N4O3/c1-13-3-6-16(9-14(13)2)21-19(24)11-22-12-20-10-18(22)15-4-7-17(8-5-15)23(25)26/h3-10,12H,11H2,1-2H3,(H,21,24)
InChIKeyUURVDVLIZLQZSU-UHFFFAOYSA-N
XLogP3.71
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500350.38
LogP ≤ 53.71
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 N-(3,4-dimethylphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide?
The IUPAC name of N-(3,4-dimethylphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide (CID 1292322) is N-(3,4-dimethylphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-(3,4-dimethylphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide?
The canonical SMILES for N-(3,4-dimethylphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide is Cc1ccc(NC(=O)Cn2cncc2-c2ccc([N+](=O)[O-])cc2)cc1C.
What is the InChIKey of N-(3,4-dimethylphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide?
The InChIKey is UURVDVLIZLQZSU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18N4O3/c1-13-3-6-16(9-14(13)2)21-19(24)11-22-12-20-10-18(22)15-4-7-17(8-5-15)23(25)26/h3-10,12H,11H2,1-2H3,(H,21,24).
What are the key properties of N-(3,4-dimethylphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide?
N-(3,4-dimethylphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide has a molecular weight of 350.38 g/mol, XLogP of 3.71, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,4-dimethylphenyl)-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 1292322), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).