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

C36H26N4O2 — CID 102431861

IUPAC5-(4-phenoxyphenyl)-2-[4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazole
SMILESc1ccc(Oc2ccc(-c3cnc(-c4ccc(-c5ncc(-c6ccc(Oc7ccccc7)cc6)[nH]5)cc4)[nH]3)cc2)cc1
InChIInChI=1S/C36H26N4O2/c1-3-7-29(8-4-1)41-31-19-15-25(16-20-31)33-23-37-35(39-33)27-11-13-28(14-12-27)36-38-24-34(40-36)26-17-21-32(22-18-26)42-30-9-5-2-6-10-30/h1-24H,(H,37,39)(H,38,40)
InChIKeyUVMWBTZYFWAOGD-UHFFFAOYSA-N
MW546.63 g/mol
LogP9.39
Rot. Bonds8

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

5-(4-phenoxyphenyl)-2-[4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazole (PubChem CID 102431861) has the molecular formula C36H26N4O2 and a molecular weight of 546.63 g/mol. Its IUPAC name is 5-(4-phenoxyphenyl)-2-[4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazole.

Molecular Properties

Compound Name5-(4-phenoxyphenyl)-2-[4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazole
PubChem CID102431861
Molecular FormulaC36H26N4O2
Molecular Weight546.63 g/mol
Exact Mass546.21
IUPAC Name5-(4-phenoxyphenyl)-2-[4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazole
SMILESc1ccc(Oc2ccc(-c3cnc(-c4ccc(-c5ncc(-c6ccc(Oc7ccccc7)cc6)[nH]5)cc4)[nH]3)cc2)cc1
InChIInChI=1S/C36H26N4O2/c1-3-7-29(8-4-1)41-31-19-15-25(16-20-31)33-23-37-35(39-33)27-11-13-28(14-12-27)36-38-24-34(40-36)26-17-21-32(22-18-26)42-30-9-5-2-6-10-30/h1-24H,(H,37,39)(H,38,40)
InChIKeyUVMWBTZYFWAOGD-UHFFFAOYSA-N
XLogP9.39
TPSA75.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500546.63
LogP ≤ 59.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-(4-phenoxyphenyl)-1H-imidazol-2-amine
CID 82297784
5-(4-bromophenyl)-2-phenyl-1H-imidazole
CID 12858161
2,5-diphenyl-1H-imidazole;1H-pyrrole
CID 174802105
5-(4-tert-butylphenyl)-2-phenyl-1H-imidazole
CID 174633660
5-naphthalen-2-yl-2-phenyl-1H-imidazole
CID 10038778
3-[2-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]pyridine
CID 141253849
5-(4-tert-butylphenyl)-2-(4-phenylphenyl)-1H-imidazole
CID 141144375
2-(phenoxymethyl)-5-[4-(4-phenylmethoxyphenoxy)phenyl]-1H-imidazole
CID 11487705
2-(4-fluorophenyl)-5-(4-methoxyphenyl)-1H-imidazole;hydrochloride
CID 18673126
2-(3,4-dichlorophenyl)-5-phenyl-1H-imidazole
CID 23103021
2-(4-bromophenyl)-6-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]-N-phenylimidazo[1,2-a]pyridin-3-amine
CID 50907281
5-(4-bromophenyl)-2-(4-ethoxyphenyl)-1H-imidazole
CID 174408682

Frequently Asked Questions

What is the IUPAC name of 5-(4-phenoxyphenyl)-2-[4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazole?
The IUPAC name of 5-(4-phenoxyphenyl)-2-[4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazole (CID 102431861) is 5-(4-phenoxyphenyl)-2-[4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazole.
What is the SMILES notation for 5-(4-phenoxyphenyl)-2-[4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazole?
The canonical SMILES for 5-(4-phenoxyphenyl)-2-[4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazole is c1ccc(Oc2ccc(-c3cnc(-c4ccc(-c5ncc(-c6ccc(Oc7ccccc7)cc6)[nH]5)cc4)[nH]3)cc2)cc1.
What is the InChIKey of 5-(4-phenoxyphenyl)-2-[4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazole?
The InChIKey is UVMWBTZYFWAOGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H26N4O2/c1-3-7-29(8-4-1)41-31-19-15-25(16-20-31)33-23-37-35(39-33)27-11-13-28(14-12-27)36-38-24-34(40-36)26-17-21-32(22-18-26)42-30-9-5-2-6-10-30/h1-24H,(H,37,39)(H,38,40).
What are the key properties of 5-(4-phenoxyphenyl)-2-[4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazole?
5-(4-phenoxyphenyl)-2-[4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazole has a molecular weight of 546.63 g/mol, XLogP of 9.39, 8 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-phenoxyphenyl)-2-[4-[5-(4-phenoxyphenyl)-1H-imidazol-2-yl]phenyl]-1H-imidazole is sourced from PubChem (CID 102431861), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).