methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate

C25H19N3O2 — CID 11280843

IUPACmethyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c[nH]c2c1
InChIInChI=1S/C25H19N3O2/c1-30-25(29)18-12-13-19-20(15-26-21(19)14-18)24-27-22(16-8-4-2-5-9-16)23(28-24)17-10-6-3-7-11-17/h2-15,26H,1H3,(H,27,28)
InChIKeyDNNBJPVYZULRSW-UHFFFAOYSA-N
MW393.45 g/mol
LogP5.68
Rot. Bonds4

About methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate

methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate (PubChem CID 11280843) has the molecular formula C25H19N3O2 and a molecular weight of 393.45 g/mol. Its IUPAC name is methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate.

Molecular Properties

Compound Namemethyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate
PubChem CID11280843
Molecular FormulaC25H19N3O2
Molecular Weight393.45 g/mol
Exact Mass393.15
IUPAC Namemethyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate
SMILESCOC(=O)c1ccc2c(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c[nH]c2c1
InChIInChI=1S/C25H19N3O2/c1-30-25(29)18-12-13-19-20(15-26-21(19)14-18)24-27-22(16-8-4-2-5-9-16)23(28-24)17-10-6-3-7-11-17/h2-15,26H,1H3,(H,27,28)
InChIKeyDNNBJPVYZULRSW-UHFFFAOYSA-N
XLogP5.68
TPSA70.77 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500393.45
LogP ≤ 55.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imidazole_A(19)', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate?
The IUPAC name of methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate (CID 11280843) is methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate.
What is the SMILES notation for methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate?
The canonical SMILES for methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate is COC(=O)c1ccc2c(-c3nc(-c4ccccc4)c(-c4ccccc4)[nH]3)c[nH]c2c1.
What is the InChIKey of methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate?
The InChIKey is DNNBJPVYZULRSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H19N3O2/c1-30-25(29)18-12-13-19-20(15-26-21(19)14-18)24-27-22(16-8-4-2-5-9-16)23(28-24)17-10-6-3-7-11-17/h2-15,26H,1H3,(H,27,28).
What are the key properties of methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate?
methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate has a molecular weight of 393.45 g/mol, XLogP of 5.68, 4 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-(4,5-diphenyl-1H-imidazol-2-yl)-1H-indole-6-carboxylate is sourced from PubChem (CID 11280843), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).