4-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]aniline

C21H15N5O4 — CID 141021158

IUPAC4-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]aniline
SMILESNc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1
InChIInChI=1S/C21H15N5O4/c22-16-7-1-15(2-8-16)21-23-19(13-3-9-17(10-4-13)25(27)28)20(24-21)14-5-11-18(12-6-14)26(29)30/h1-12H,22H2,(H,23,24)
InChIKeyQFIAJCDOBFUYKI-UHFFFAOYSA-N
MW401.38 g/mol
LogP4.81
Rot. Bonds5

About 4-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]aniline

4-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]aniline (PubChem CID 141021158) has the molecular formula C21H15N5O4 and a molecular weight of 401.38 g/mol. Its IUPAC name is 4-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]aniline.

Molecular Properties

Compound Name4-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]aniline
PubChem CID141021158
Molecular FormulaC21H15N5O4
Molecular Weight401.38 g/mol
Exact Mass401.11
IUPAC Name4-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]aniline
SMILESNc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1
InChIInChI=1S/C21H15N5O4/c22-16-7-1-15(2-8-16)21-23-19(13-3-9-17(10-4-13)25(27)28)20(24-21)14-5-11-18(12-6-14)26(29)30/h1-12H,22H2,(H,23,24)
InChIKeyQFIAJCDOBFUYKI-UHFFFAOYSA-N
XLogP4.81
TPSA140.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.38
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', '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-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-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

4-[4-(4-aminophenyl)-2-[4-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazol-5-yl]aniline
CID 101105768
4-[4-(4-aminophenyl)-2-[4-[(4-nitrophenyl)diazenyl]phenyl]-1H-imidazol-5-yl]aniline
CID 102466776
4-(4-nitrophenyl)-2-[4-[4-(4-nitrophenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 135420019
4,5-bis(4-iodophenyl)-2-(4-nitrophenyl)-1H-imidazole
CID 177443254
4,5-bis(4-chlorophenyl)-2-(4-nitrophenyl)-1H-imidazole
CID 2832814
methanol;bis(2-(4-nitrophenyl)-4,5-diphenyl-1H-imidazole)
CID 139060721
4-[4-(4-fluorophenyl)-2-(4-nitrophenyl)-1H-imidazol-5-yl]pyridine
CID 4712
4-[4-[4-[4-[2-(4-carboxyphenyl)-5-(4-nitrophenyl)-1H-imidazol-4-yl]phenoxy]phenyl]-5-(4-nitrophenyl)-1H-imidazol-2-yl]benzoic acid
CID 11980146
4-[4-[4-[4-[2-(4-carboxyphenyl)-4-(4-nitrophenyl)-1H-imidazol-5-yl]phenoxy]phenyl]-5-(4-nitrophenyl)-1H-imidazol-2-yl]benzoic acid
CID 135645773
3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
CID 3106829
3-[5-[4-[4-[2-(3-hydroxyphenyl)-4-(4-nitrophenyl)-1H-imidazol-5-yl]phenoxy]phenyl]-4-(4-nitrophenyl)-1H-imidazol-2-yl]phenol
CID 135510187
2-(10-chloroanthracen-9-yl)-5-[4-(4-nitrophenyl)phenyl]-4-phenyl-1H-imidazole
CID 3568326

Frequently Asked Questions

What is the IUPAC name of 4-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]aniline?
The IUPAC name of 4-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]aniline (CID 141021158) is 4-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]aniline.
What is the SMILES notation for 4-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]aniline?
The canonical SMILES for 4-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]aniline is Nc1ccc(-c2nc(-c3ccc([N+](=O)[O-])cc3)c(-c3ccc([N+](=O)[O-])cc3)[nH]2)cc1.
What is the InChIKey of 4-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]aniline?
The InChIKey is QFIAJCDOBFUYKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H15N5O4/c22-16-7-1-15(2-8-16)21-23-19(13-3-9-17(10-4-13)25(27)28)20(24-21)14-5-11-18(12-6-14)26(29)30/h1-12H,22H2,(H,23,24).
What are the key properties of 4-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]aniline?
4-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]aniline has a molecular weight of 401.38 g/mol, XLogP of 4.81, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4,5-bis(4-nitrophenyl)-1H-imidazol-2-yl]aniline is sourced from PubChem (CID 141021158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).