5-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-hydroxy-3-methylbenzaldehyde

C25H22N2O4 — CID 136706376

IUPAC5-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-hydroxy-3-methylbenzaldehyde
SMILESCOc1ccc(-c2nc(-c3cc(C)c(O)c(C=O)c3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H22N2O4/c1-15-12-18(13-19(14-28)24(15)29)25-26-22(16-4-8-20(30-2)9-5-16)23(27-25)17-6-10-21(31-3)11-7-17/h4-14,29H,1-3H3,(H,26,27)
InChIKeyPGBPDOGYVUSHOO-UHFFFAOYSA-N
MW414.46 g/mol
LogP5.25
Rot. Bonds6

About 5-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-hydroxy-3-methylbenzaldehyde

5-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-hydroxy-3-methylbenzaldehyde (PubChem CID 136706376) has the molecular formula C25H22N2O4 and a molecular weight of 414.46 g/mol. Its IUPAC name is 5-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-hydroxy-3-methylbenzaldehyde.

Molecular Properties

Compound Name5-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-hydroxy-3-methylbenzaldehyde
PubChem CID136706376
Molecular FormulaC25H22N2O4
Molecular Weight414.46 g/mol
Exact Mass414.16
IUPAC Name5-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-hydroxy-3-methylbenzaldehyde
SMILESCOc1ccc(-c2nc(-c3cc(C)c(O)c(C=O)c3)[nH]c2-c2ccc(OC)cc2)cc1
InChIInChI=1S/C25H22N2O4/c1-15-12-18(13-19(14-28)24(15)29)25-26-22(16-4-8-20(30-2)9-5-16)23(27-25)17-6-10-21(31-3)11-7-17/h4-14,29H,1-3H3,(H,26,27)
InChIKeyPGBPDOGYVUSHOO-UHFFFAOYSA-N
XLogP5.25
TPSA84.44 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500414.46
LogP ≤ 55.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

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

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Related Compounds

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
4-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]phenol;ethane
CID 142013542
4-(4-methoxyphenyl)-2-[4-[4-(4-methoxyphenyl)-5-phenyl-1H-imidazol-2-yl]phenyl]-5-phenyl-1H-imidazole
CID 136591177
2-(4-bromophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101724
4,5-bis[4-(4-methoxyphenyl)phenyl]-2-phenyl-1H-imidazole
CID 86068927
[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
4,5-bis(4-methoxyphenyl)-2-(1H-pyrrol-3-yl)-1H-imidazole
CID 135968526
2-(3-chlorophenyl)-4,5-bis(4-methoxyphenyl)-1H-imidazole
CID 1101728
4,5-bis(4-methoxyphenyl)-2-(5-methylfuran-2-yl)-1H-imidazole
CID 40532851
4-(3,4-dimethylphenyl)-2-(3-methoxyphenyl)-5-phenyl-1H-imidazole
CID 1110224
methyl 5-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-1H-pyrrole-3-carboxylate
CID 13121104

Frequently Asked Questions

What is the IUPAC name of 5-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-hydroxy-3-methylbenzaldehyde?
The IUPAC name of 5-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-hydroxy-3-methylbenzaldehyde (CID 136706376) is 5-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-hydroxy-3-methylbenzaldehyde.
What is the SMILES notation for 5-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-hydroxy-3-methylbenzaldehyde?
The canonical SMILES for 5-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-hydroxy-3-methylbenzaldehyde is COc1ccc(-c2nc(-c3cc(C)c(O)c(C=O)c3)[nH]c2-c2ccc(OC)cc2)cc1.
What is the InChIKey of 5-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-hydroxy-3-methylbenzaldehyde?
The InChIKey is PGBPDOGYVUSHOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H22N2O4/c1-15-12-18(13-19(14-28)24(15)29)25-26-22(16-4-8-20(30-2)9-5-16)23(27-25)17-6-10-21(31-3)11-7-17/h4-14,29H,1-3H3,(H,26,27).
What are the key properties of 5-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-hydroxy-3-methylbenzaldehyde?
5-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-hydroxy-3-methylbenzaldehyde has a molecular weight of 414.46 g/mol, XLogP of 5.25, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[4,5-bis(4-methoxyphenyl)-1H-imidazol-2-yl]-2-hydroxy-3-methylbenzaldehyde is sourced from PubChem (CID 136706376), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).