2-hydroxy-3-methoxy-5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde

C30H24N2O3 — CID 155928283

IUPAC2-hydroxy-3-methoxy-5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccc(C)cc2)cc(C=O)c1O
InChIInChI=1S/C30H24N2O3/c1-20-13-15-25(16-14-20)32-28(22-11-7-4-8-12-22)27(21-9-5-3-6-10-21)31-30(32)23-17-24(19-33)29(34)26(18-23)35-2/h3-19,34H,1-2H3
InChIKeyBQNFKZIFHXVJFT-UHFFFAOYSA-N
MW460.53 g/mol
LogP6.71
Rot. Bonds6

About 2-hydroxy-3-methoxy-5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde

2-hydroxy-3-methoxy-5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde (PubChem CID 155928283) has the molecular formula C30H24N2O3 and a molecular weight of 460.53 g/mol. Its IUPAC name is 2-hydroxy-3-methoxy-5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde.

Molecular Properties

Compound Name2-hydroxy-3-methoxy-5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde
PubChem CID155928283
Molecular FormulaC30H24N2O3
Molecular Weight460.53 g/mol
Exact Mass460.18
IUPAC Name2-hydroxy-3-methoxy-5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde
SMILESCOc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccc(C)cc2)cc(C=O)c1O
InChIInChI=1S/C30H24N2O3/c1-20-13-15-25(16-14-20)32-28(22-11-7-4-8-12-22)27(21-9-5-3-6-10-21)31-30(32)23-17-24(19-33)29(34)26(18-23)35-2/h3-19,34H,1-2H3
InChIKeyBQNFKZIFHXVJFT-UHFFFAOYSA-N
XLogP6.71
TPSA64.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms35
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500460.53
LogP ≤ 56.71
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'aldehyde', 'substructure': 'N/A'}

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Related Compounds

5-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxybenzaldehyde
CID 155928284
(5Z)-5-[[5-[1-(4-chlorophenyl)-4,5-diphenylimidazol-2-yl]-2-hydroxy-3-methoxyphenyl]methylidene]-1,3-thiazolidine-2,4-dione
CID 155928309
1-(4-methoxyphenyl)-4,5-diphenyl-2-[4-(1,2,2-triphenylethenyl)phenyl]imidazole
CID 155174914
4-[2-(5-tert-butyl-3-formyl-2-hydroxyphenyl)-4,5-diphenylimidazol-1-yl]benzoic acid
CID 139052478
9-(4-phenylphenyl)-3,6-bis(1,4,5-triphenylimidazol-2-yl)carbazole
CID 141396920
1,4,5-triphenyl-2-(1,4,5-triphenylimidazol-2-yl)imidazole
CID 19020129
2-hydroxy-5-[3-(hydroxymethyl)phenyl]-3-methoxybenzaldehyde
CID 59599926
2-hydroxy-3-methoxy-5-quinolin-6-ylbenzaldehyde
CID 39225175
5-(2-chlorophenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 39224803
5-(2-aminophenyl)-2-hydroxy-3-methoxybenzaldehyde
CID 39224754
1-(4-bromophenyl)-2,4,5-triphenylimidazole
CID 71122850
2-(4-bromophenyl)-1-(3,4-dimethylphenyl)-4,5-diphenylimidazole
CID 122207157

Frequently Asked Questions

What is the IUPAC name of 2-hydroxy-3-methoxy-5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde?
The IUPAC name of 2-hydroxy-3-methoxy-5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde (CID 155928283) is 2-hydroxy-3-methoxy-5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde.
What is the SMILES notation for 2-hydroxy-3-methoxy-5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde?
The canonical SMILES for 2-hydroxy-3-methoxy-5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde is COc1cc(-c2nc(-c3ccccc3)c(-c3ccccc3)n2-c2ccc(C)cc2)cc(C=O)c1O.
What is the InChIKey of 2-hydroxy-3-methoxy-5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde?
The InChIKey is BQNFKZIFHXVJFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C30H24N2O3/c1-20-13-15-25(16-14-20)32-28(22-11-7-4-8-12-22)27(21-9-5-3-6-10-21)31-30(32)23-17-24(19-33)29(34)26(18-23)35-2/h3-19,34H,1-2H3.
What are the key properties of 2-hydroxy-3-methoxy-5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde?
2-hydroxy-3-methoxy-5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde has a molecular weight of 460.53 g/mol, XLogP of 6.71, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydroxy-3-methoxy-5-[1-(4-methylphenyl)-4,5-diphenylimidazol-2-yl]benzaldehyde is sourced from PubChem (CID 155928283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).