3-[4,5-bis(4-phenoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole

C36H27N3O2 — CID 11752958

IUPAC3-[4,5-bis(4-phenoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1-c1nc(-c2ccc(Oc3ccccc3)cc2)c(-c2ccc(Oc3ccccc3)cc2)[nH]1
InChIInChI=1S/C36H27N3O2/c1-24-33(31-14-8-9-15-32(31)37-24)36-38-34(25-16-20-29(21-17-25)40-27-10-4-2-5-11-27)35(39-36)26-18-22-30(23-19-26)41-28-12-6-3-7-13-28/h2-23,37H,1H3,(H,38,39)
InChIKeySFOJNAZYAVZEBZ-UHFFFAOYSA-N
MW533.63 g/mol
LogP9.79
Rot. Bonds7

About 3-[4,5-bis(4-phenoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole

3-[4,5-bis(4-phenoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole (PubChem CID 11752958) has the molecular formula C36H27N3O2 and a molecular weight of 533.63 g/mol. Its IUPAC name is 3-[4,5-bis(4-phenoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole.

Molecular Properties

Compound Name3-[4,5-bis(4-phenoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole
PubChem CID11752958
Molecular FormulaC36H27N3O2
Molecular Weight533.63 g/mol
Exact Mass533.21
IUPAC Name3-[4,5-bis(4-phenoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole
SMILESCc1[nH]c2ccccc2c1-c1nc(-c2ccc(Oc3ccccc3)cc2)c(-c2ccc(Oc3ccccc3)cc2)[nH]1
InChIInChI=1S/C36H27N3O2/c1-24-33(31-14-8-9-15-32(31)37-24)36-38-34(25-16-20-29(21-17-25)40-27-10-4-2-5-11-27)35(39-36)26-18-22-30(23-19-26)41-28-12-6-3-7-13-28/h2-23,37H,1H3,(H,38,39)
InChIKeySFOJNAZYAVZEBZ-UHFFFAOYSA-N
XLogP9.79
TPSA62.93 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500533.63
LogP ≤ 59.79
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 3-[4,5-bis(4-phenoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole?
The IUPAC name of 3-[4,5-bis(4-phenoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole (CID 11752958) is 3-[4,5-bis(4-phenoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole.
What is the SMILES notation for 3-[4,5-bis(4-phenoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole?
The canonical SMILES for 3-[4,5-bis(4-phenoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole is Cc1[nH]c2ccccc2c1-c1nc(-c2ccc(Oc3ccccc3)cc2)c(-c2ccc(Oc3ccccc3)cc2)[nH]1.
What is the InChIKey of 3-[4,5-bis(4-phenoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole?
The InChIKey is SFOJNAZYAVZEBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H27N3O2/c1-24-33(31-14-8-9-15-32(31)37-24)36-38-34(25-16-20-29(21-17-25)40-27-10-4-2-5-11-27)35(39-36)26-18-22-30(23-19-26)41-28-12-6-3-7-13-28/h2-23,37H,1H3,(H,38,39).
What are the key properties of 3-[4,5-bis(4-phenoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole?
3-[4,5-bis(4-phenoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole has a molecular weight of 533.63 g/mol, XLogP of 9.79, 7 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[4,5-bis(4-phenoxyphenyl)-1H-imidazol-2-yl]-2-methyl-1H-indole is sourced from PubChem (CID 11752958), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).