2-butyl-5-methyl-3-[(4-phenoxyphenyl)methyl]imidazole-4-carbaldehyde

C22H24N2O2 — CID 122430872

IUPAC2-butyl-5-methyl-3-[(4-phenoxyphenyl)methyl]imidazole-4-carbaldehyde
SMILESCCCCc1nc(C)c(C=O)n1Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H24N2O2/c1-3-4-10-22-23-17(2)21(16-25)24(22)15-18-11-13-20(14-12-18)26-19-8-6-5-7-9-19/h5-9,11-14,16H,3-4,10,15H2,1-2H3
InChIKeyREMWKLSYCSJCBA-UHFFFAOYSA-N
MW348.45 g/mol
LogP5.19
Rot. Bonds8

About 2-butyl-5-methyl-3-[(4-phenoxyphenyl)methyl]imidazole-4-carbaldehyde

2-butyl-5-methyl-3-[(4-phenoxyphenyl)methyl]imidazole-4-carbaldehyde (PubChem CID 122430872) has the molecular formula C22H24N2O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is 2-butyl-5-methyl-3-[(4-phenoxyphenyl)methyl]imidazole-4-carbaldehyde.

Molecular Properties

Compound Name2-butyl-5-methyl-3-[(4-phenoxyphenyl)methyl]imidazole-4-carbaldehyde
PubChem CID122430872
Molecular FormulaC22H24N2O2
Molecular Weight348.45 g/mol
Exact Mass348.18
IUPAC Name2-butyl-5-methyl-3-[(4-phenoxyphenyl)methyl]imidazole-4-carbaldehyde
SMILESCCCCc1nc(C)c(C=O)n1Cc1ccc(Oc2ccccc2)cc1
InChIInChI=1S/C22H24N2O2/c1-3-4-10-22-23-17(2)21(16-25)24(22)15-18-11-13-20(14-12-18)26-19-8-6-5-7-9-19/h5-9,11-14,16H,3-4,10,15H2,1-2H3
InChIKeyREMWKLSYCSJCBA-UHFFFAOYSA-N
XLogP5.19
TPSA44.12 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500348.45
LogP ≤ 55.19
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Related Compounds

2-[4-[[2-butyl-5-chloro-4-(hydroxymethyl)imidazol-1-yl]methyl]phenoxy]benzoic acid
CID 70055632
2-butyl-5-chloro-1-[(4-chlorophenyl)methyl]imidazole-4-carbaldehyde
CID 122477083
2-butyl-5-chloro-3-[[4-(2-trityltetrazol-5-yl)phenyl]methyl]imidazole-4-carbaldehyde
CID 10438327
4-(4-butylphenoxy)benzaldehyde
CID 10824839
2-butyl-5-phenylsulfanyl-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde
CID 18962501
2-butyl-5-(4-fluorophenyl)-3-[[4-[2-(5-oxo-4H-1,2,4-oxadiazol-3-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde
CID 136642854
2-butyl-3-[(4-methylphenyl)methyl]imidazole-4-carbaldehyde
CID 143948337
2-butyl-3-[(4-methoxyphenyl)methyl]-5-methylimidazo[4,5-b]pyridin-6-amine
CID 3212346
4-[(2-butylbenzimidazol-1-yl)methyl]benzoic acid
CID 14987298
2-butyl-1-[(3-phenoxyphenyl)methyl]imidazo[4,5-c]quinolin-4-amine
CID 164926465
benzyl 2-[3-bromo-5-[(2-butyl-4-chloro-5-formylimidazol-1-yl)methyl]-1-benzofuran-2-yl]benzoate
CID 19026324
2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazole-4-carbaldehyde;[2-butyl-5-chloro-3-[[4-[2-(2H-tetrazol-5-yl)phenyl]phenyl]methyl]imidazol-4-yl]methanol
CID 167599021

Frequently Asked Questions

What is the IUPAC name of 2-butyl-5-methyl-3-[(4-phenoxyphenyl)methyl]imidazole-4-carbaldehyde?
The IUPAC name of 2-butyl-5-methyl-3-[(4-phenoxyphenyl)methyl]imidazole-4-carbaldehyde (CID 122430872) is 2-butyl-5-methyl-3-[(4-phenoxyphenyl)methyl]imidazole-4-carbaldehyde.
What is the SMILES notation for 2-butyl-5-methyl-3-[(4-phenoxyphenyl)methyl]imidazole-4-carbaldehyde?
The canonical SMILES for 2-butyl-5-methyl-3-[(4-phenoxyphenyl)methyl]imidazole-4-carbaldehyde is CCCCc1nc(C)c(C=O)n1Cc1ccc(Oc2ccccc2)cc1.
What is the InChIKey of 2-butyl-5-methyl-3-[(4-phenoxyphenyl)methyl]imidazole-4-carbaldehyde?
The InChIKey is REMWKLSYCSJCBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N2O2/c1-3-4-10-22-23-17(2)21(16-25)24(22)15-18-11-13-20(14-12-18)26-19-8-6-5-7-9-19/h5-9,11-14,16H,3-4,10,15H2,1-2H3.
What are the key properties of 2-butyl-5-methyl-3-[(4-phenoxyphenyl)methyl]imidazole-4-carbaldehyde?
2-butyl-5-methyl-3-[(4-phenoxyphenyl)methyl]imidazole-4-carbaldehyde has a molecular weight of 348.45 g/mol, XLogP of 5.19, 8 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-butyl-5-methyl-3-[(4-phenoxyphenyl)methyl]imidazole-4-carbaldehyde is sourced from PubChem (CID 122430872), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).