4-[4-(4-nitrophenyl)imidazol-1-yl]aniline

C15H12N4O2 — CID 58324091

IUPAC4-[4-(4-nitrophenyl)imidazol-1-yl]aniline
SMILESNc1ccc(-n2cnc(-c3ccc([N+](=O)[O-])cc3)c2)cc1
InChIInChI=1S/C15H12N4O2/c16-12-3-7-13(8-4-12)18-9-15(17-10-18)11-1-5-14(6-2-11)19(20)21/h1-10H,16H2
InChIKeyBSDYFRJNHOMLJP-UHFFFAOYSA-N
MW280.29 g/mol
LogP3.03
Rot. Bonds3

About 4-[4-(4-nitrophenyl)imidazol-1-yl]aniline

4-[4-(4-nitrophenyl)imidazol-1-yl]aniline (PubChem CID 58324091) has the molecular formula C15H12N4O2 and a molecular weight of 280.29 g/mol. Its IUPAC name is 4-[4-(4-nitrophenyl)imidazol-1-yl]aniline.

Molecular Properties

Compound Name4-[4-(4-nitrophenyl)imidazol-1-yl]aniline
PubChem CID58324091
Molecular FormulaC15H12N4O2
Molecular Weight280.29 g/mol
Exact Mass280.10
IUPAC Name4-[4-(4-nitrophenyl)imidazol-1-yl]aniline
SMILESNc1ccc(-n2cnc(-c3ccc([N+](=O)[O-])cc3)c2)cc1
InChIInChI=1S/C15H12N4O2/c16-12-3-7-13(8-4-12)18-9-15(17-10-18)11-1-5-14(6-2-11)19(20)21/h1-10H,16H2
InChIKeyBSDYFRJNHOMLJP-UHFFFAOYSA-N
XLogP3.03
TPSA86.98 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.29
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_no_alk(40)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

Analyze 4-[4-(4-nitrophenyl)imidazol-1-yl]aniline with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[3-(4-aminophenyl)-1,2-oxazol-5-yl]-2-[3-(4-nitrophenyl)-1,2-oxazol-5-yl]ethane-1,2-diol
CID 68757332
4-(5-nitrobenzimidazol-1-yl)aniline
CID 827644
3-(3,4-difluorophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole
CID 23725483
methanamine;4-nitroaniline
CID 22708932
sodium;hydride;4-nitroaniline
CID 174897540
3-[1-(3-nitrophenyl)imidazol-4-yl]pyridine
CID 174550966
4-[2,5-bis(4-methylphenyl)-4-(4-nitrophenyl)pyrrolo[3,2-b]pyrrol-1-yl]aniline
CID 134566023
molecular nitrogen;4-nitroaniline;hydrochloride
CID 175091269
1-methyl-4-(4-nitrophenyl)piperazine;4-(4-methylpiperazin-1-yl)aniline
CID 69123468
3-(3-bromophenyl)-5-methyl-4-[1-(4-nitrophenyl)imidazol-4-yl]-1,2-oxazole
CID 23725438
4-[1-(2,4-dichlorophenyl)imidazol-4-yl]aniline
CID 15063062
4-[5-[1-(4-nitrophenyl)tetrazol-5-yl]tetrazol-1-yl]aniline
CID 57134720

Frequently Asked Questions

What is the IUPAC name of 4-[4-(4-nitrophenyl)imidazol-1-yl]aniline?
The IUPAC name of 4-[4-(4-nitrophenyl)imidazol-1-yl]aniline (CID 58324091) is 4-[4-(4-nitrophenyl)imidazol-1-yl]aniline.
What is the SMILES notation for 4-[4-(4-nitrophenyl)imidazol-1-yl]aniline?
The canonical SMILES for 4-[4-(4-nitrophenyl)imidazol-1-yl]aniline is Nc1ccc(-n2cnc(-c3ccc([N+](=O)[O-])cc3)c2)cc1.
What is the InChIKey of 4-[4-(4-nitrophenyl)imidazol-1-yl]aniline?
The InChIKey is BSDYFRJNHOMLJP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12N4O2/c16-12-3-7-13(8-4-12)18-9-15(17-10-18)11-1-5-14(6-2-11)19(20)21/h1-10H,16H2.
What are the key properties of 4-[4-(4-nitrophenyl)imidazol-1-yl]aniline?
4-[4-(4-nitrophenyl)imidazol-1-yl]aniline has a molecular weight of 280.29 g/mol, XLogP of 3.03, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(4-nitrophenyl)imidazol-1-yl]aniline is sourced from PubChem (CID 58324091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).