5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole

C24H18N4O2 — CID 71103102

IUPAC5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
SMILESCc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc([N+](=O)[O-])cc4)[nH]3)c2c1
InChIInChI=1S/C24H18N4O2/c1-15-7-12-21-19(13-15)20(14-25-21)24-26-22(16-5-3-2-4-6-16)23(27-24)17-8-10-18(11-9-17)28(29)30/h2-14,25H,1H3,(H,26,27)
InChIKeyUVNHERRRWNMKOI-UHFFFAOYSA-N
MW394.43 g/mol
LogP6.11
Rot. Bonds4

About 5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole

5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole (PubChem CID 71103102) has the molecular formula C24H18N4O2 and a molecular weight of 394.43 g/mol. Its IUPAC name is 5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole.

Molecular Properties

Compound Name5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
PubChem CID71103102
Molecular FormulaC24H18N4O2
Molecular Weight394.43 g/mol
Exact Mass394.14
IUPAC Name5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole
SMILESCc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc([N+](=O)[O-])cc4)[nH]3)c2c1
InChIInChI=1S/C24H18N4O2/c1-15-7-12-21-19(13-15)20(14-25-21)24-26-22(16-5-3-2-4-6-16)23(27-24)17-8-10-18(11-9-17)28(29)30/h2-14,25H,1H3,(H,26,27)
InChIKeyUVNHERRRWNMKOI-UHFFFAOYSA-N
XLogP6.11
TPSA87.61 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.43
LogP ≤ 56.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}, {'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 5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
The IUPAC name of 5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole (CID 71103102) is 5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole.
What is the SMILES notation for 5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
The canonical SMILES for 5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole is Cc1ccc2[nH]cc(-c3nc(-c4ccccc4)c(-c4ccc([N+](=O)[O-])cc4)[nH]3)c2c1.
What is the InChIKey of 5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
The InChIKey is UVNHERRRWNMKOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H18N4O2/c1-15-7-12-21-19(13-15)20(14-25-21)24-26-22(16-5-3-2-4-6-16)23(27-24)17-8-10-18(11-9-17)28(29)30/h2-14,25H,1H3,(H,26,27).
What are the key properties of 5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole?
5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole has a molecular weight of 394.43 g/mol, XLogP of 6.11, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-3-[5-(4-nitrophenyl)-4-phenyl-1H-imidazol-2-yl]-1H-indole is sourced from PubChem (CID 71103102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).