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

C21H16N4O3 — CID 1337611

IUPACN-naphthalen-1-yl-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide
SMILESO=C(Cn1cncc1-c1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12
InChIInChI=1S/C21H16N4O3/c26-21(23-19-7-3-5-15-4-1-2-6-18(15)19)13-24-14-22-12-20(24)16-8-10-17(11-9-16)25(27)28/h1-12,14H,13H2,(H,23,26)
InChIKeyYFJXLLCMAVPRLR-UHFFFAOYSA-N
MW372.38 g/mol
LogP4.25
Rot. Bonds5

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

N-naphthalen-1-yl-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide (PubChem CID 1337611) has the molecular formula C21H16N4O3 and a molecular weight of 372.38 g/mol. Its IUPAC name is N-naphthalen-1-yl-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide.

Molecular Properties

Compound NameN-naphthalen-1-yl-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide
PubChem CID1337611
Molecular FormulaC21H16N4O3
Molecular Weight372.38 g/mol
Exact Mass372.12
IUPAC NameN-naphthalen-1-yl-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide
SMILESO=C(Cn1cncc1-c1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12
InChIInChI=1S/C21H16N4O3/c26-21(23-19-7-3-5-15-4-1-2-6-18(15)19)13-24-14-22-12-20(24)16-8-10-17(11-9-16)25(27)28/h1-12,14H,13H2,(H,23,26)
InChIKeyYFJXLLCMAVPRLR-UHFFFAOYSA-N
XLogP4.25
TPSA90.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.38
LogP ≤ 54.25
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-naphthalen-1-yl-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide?
The IUPAC name of N-naphthalen-1-yl-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide (CID 1337611) is N-naphthalen-1-yl-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide.
What is the SMILES notation for N-naphthalen-1-yl-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide?
The canonical SMILES for N-naphthalen-1-yl-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide is O=C(Cn1cncc1-c1ccc([N+](=O)[O-])cc1)Nc1cccc2ccccc12.
What is the InChIKey of N-naphthalen-1-yl-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide?
The InChIKey is YFJXLLCMAVPRLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H16N4O3/c26-21(23-19-7-3-5-15-4-1-2-6-18(15)19)13-24-14-22-12-20(24)16-8-10-17(11-9-16)25(27)28/h1-12,14H,13H2,(H,23,26).
What are the key properties of N-naphthalen-1-yl-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide?
N-naphthalen-1-yl-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide has a molecular weight of 372.38 g/mol, XLogP of 4.25, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-naphthalen-1-yl-2-[5-(4-nitrophenyl)imidazol-1-yl]acetamide is sourced from PubChem (CID 1337611), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).