2-(4-methoxyphenyl)-4-[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole

C38H30N4O2 — CID 135416607

IUPAC2-(4-methoxyphenyl)-4-[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccc(-c4[nH]c(-c5ccc(OC)cc5)nc4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C38H30N4O2/c1-43-31-21-17-29(18-22-31)37-39-33(25-9-5-3-6-10-25)35(41-37)27-13-15-28(16-14-27)36-34(26-11-7-4-8-12-26)40-38(42-36)30-19-23-32(44-2)24-20-30/h3-24H,1-2H3,(H,39,41)(H,40,42)
InChIKeyBSZYRVOQMHNNNM-UHFFFAOYSA-N
MW574.68 g/mol
LogP9.15
Rot. Bonds8

About 2-(4-methoxyphenyl)-4-[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole

2-(4-methoxyphenyl)-4-[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole (PubChem CID 135416607) has the molecular formula C38H30N4O2 and a molecular weight of 574.68 g/mol. Its IUPAC name is 2-(4-methoxyphenyl)-4-[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-(4-methoxyphenyl)-4-[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole
PubChem CID135416607
Molecular FormulaC38H30N4O2
Molecular Weight574.68 g/mol
Exact Mass574.24
IUPAC Name2-(4-methoxyphenyl)-4-[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole
SMILESCOc1ccc(-c2nc(-c3ccc(-c4[nH]c(-c5ccc(OC)cc5)nc4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C38H30N4O2/c1-43-31-21-17-29(18-22-31)37-39-33(25-9-5-3-6-10-25)35(41-37)27-13-15-28(16-14-27)36-34(26-11-7-4-8-12-26)40-38(42-36)30-19-23-32(44-2)24-20-30/h3-24H,1-2H3,(H,39,41)(H,40,42)
InChIKeyBSZYRVOQMHNNNM-UHFFFAOYSA-N
XLogP9.15
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms44
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500574.68
LogP ≤ 59.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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 2-(4-methoxyphenyl)-4-[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole?
The IUPAC name of 2-(4-methoxyphenyl)-4-[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole (CID 135416607) is 2-(4-methoxyphenyl)-4-[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole.
What is the SMILES notation for 2-(4-methoxyphenyl)-4-[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole?
The canonical SMILES for 2-(4-methoxyphenyl)-4-[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole is COc1ccc(-c2nc(-c3ccc(-c4[nH]c(-c5ccc(OC)cc5)nc4-c4ccccc4)cc3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of 2-(4-methoxyphenyl)-4-[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole?
The InChIKey is BSZYRVOQMHNNNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C38H30N4O2/c1-43-31-21-17-29(18-22-31)37-39-33(25-9-5-3-6-10-25)35(41-37)27-13-15-28(16-14-27)36-34(26-11-7-4-8-12-26)40-38(42-36)30-19-23-32(44-2)24-20-30/h3-24H,1-2H3,(H,39,41)(H,40,42).
What are the key properties of 2-(4-methoxyphenyl)-4-[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole?
2-(4-methoxyphenyl)-4-[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole has a molecular weight of 574.68 g/mol, XLogP of 9.15, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxyphenyl)-4-[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-5-phenyl-1H-imidazole is sourced from PubChem (CID 135416607), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).