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

C45H34N4O3 — CID 135495721

IUPAC[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
SMILESCOc1ccc(-c2nc(-c3ccc(C(=O)c4ccc(-c5[nH]c(-c6ccc(OC)cc6)nc5-c5ccccc5)cc4)cc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C45H34N4O3/c1-51-37-25-21-35(22-26-37)44-46-39(29-9-5-3-6-10-29)41(48-44)31-13-17-33(18-14-31)43(50)34-19-15-32(16-20-34)42-40(30-11-7-4-8-12-30)47-45(49-42)36-23-27-38(52-2)28-24-36/h3-28H,1-2H3,(H,46,48)(H,47,49)
InChIKeySESZUWRXTMLGKI-UHFFFAOYSA-N
MW678.79 g/mol
LogP10.38
Rot. Bonds10

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

[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone (PubChem CID 135495721) has the molecular formula C45H34N4O3 and a molecular weight of 678.79 g/mol. Its IUPAC name is [4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone.

Molecular Properties

Compound Name[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
PubChem CID135495721
Molecular FormulaC45H34N4O3
Molecular Weight678.79 g/mol
Exact Mass678.26
IUPAC Name[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
SMILESCOc1ccc(-c2nc(-c3ccc(C(=O)c4ccc(-c5[nH]c(-c6ccc(OC)cc6)nc5-c5ccccc5)cc4)cc3)c(-c3ccccc3)[nH]2)cc1
InChIInChI=1S/C45H34N4O3/c1-51-37-25-21-35(22-26-37)44-46-39(29-9-5-3-6-10-29)41(48-44)31-13-17-33(18-14-31)43(50)34-19-15-32(16-20-34)42-40(30-11-7-4-8-12-30)47-45(49-42)36-23-27-38(52-2)28-24-36/h3-28H,1-2H3,(H,46,48)(H,47,49)
InChIKeySESZUWRXTMLGKI-UHFFFAOYSA-N
XLogP10.38
TPSA92.89 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms52
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500678.79
LogP ≤ 510.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
[4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methylphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135438613
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
[4-[2-(4-methylphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-phenylmethanone
CID 2259189
4-[4-[4-[4-[2-(4-carboxyphenyl)-5-phenyl-1H-imidazol-4-yl]benzoyl]phenyl]-5-phenyl-1H-imidazol-2-yl]benzoic acid
CID 135533952
[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-bromophenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone
CID 135495717
bis[4-[2-(4-bromophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
CID 3106846
phenyl-[4-[4-phenyl-2-(2,4,5-trimethoxyphenyl)-1H-imidazol-5-yl]phenyl]methanone
CID 2208629
(4-fluorophenyl)-[4-[4-phenyl-2-[4-(2-phenylethynyl)phenyl]-1H-imidazol-5-yl]phenyl]methanone
CID 22310518
bis[4-[2-(3-iodophenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]methanone
CID 3106847
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol
CID 1101726
4,5-bis(4-methoxyphenyl)-2-(4-methylphenyl)-1H-imidazole
CID 1101727

Frequently Asked Questions

What is the IUPAC name of [4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone?
The IUPAC name of [4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone (CID 135495721) is [4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone.
What is the SMILES notation for [4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone?
The canonical SMILES for [4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone is COc1ccc(-c2nc(-c3ccc(C(=O)c4ccc(-c5[nH]c(-c6ccc(OC)cc6)nc5-c5ccccc5)cc4)cc3)c(-c3ccccc3)[nH]2)cc1.
What is the InChIKey of [4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone?
The InChIKey is SESZUWRXTMLGKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C45H34N4O3/c1-51-37-25-21-35(22-26-37)44-46-39(29-9-5-3-6-10-29)41(48-44)31-13-17-33(18-14-31)43(50)34-19-15-32(16-20-34)42-40(30-11-7-4-8-12-30)47-45(49-42)36-23-27-38(52-2)28-24-36/h3-28H,1-2H3,(H,46,48)(H,47,49).
What are the key properties of [4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone?
[4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone has a molecular weight of 678.79 g/mol, XLogP of 10.38, 10 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-[2-(4-methoxyphenyl)-4-phenyl-1H-imidazol-5-yl]phenyl]-[4-[2-(4-methoxyphenyl)-5-phenyl-1H-imidazol-4-yl]phenyl]methanone is sourced from PubChem (CID 135495721), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).