1-[2-(3-bromophenyl)ethyl]-4-phenylimidazole-2-carbaldehyde

C18H15BrN2O — CID 86704027

IUPAC1-[2-(3-bromophenyl)ethyl]-4-phenylimidazole-2-carbaldehyde
SMILESO=Cc1nc(-c2ccccc2)cn1CCc1cccc(Br)c1
InChIInChI=1S/C18H15BrN2O/c19-16-8-4-5-14(11-16)9-10-21-12-17(20-18(21)13-22)15-6-2-1-3-7-15/h1-8,11-13H,9-10H2
InChIKeySAPMEQILYVOOIH-UHFFFAOYSA-N
MW355.24 g/mol
LogP4.37
Rot. Bonds5

About 1-[2-(3-bromophenyl)ethyl]-4-phenylimidazole-2-carbaldehyde

1-[2-(3-bromophenyl)ethyl]-4-phenylimidazole-2-carbaldehyde (PubChem CID 86704027) has the molecular formula C18H15BrN2O and a molecular weight of 355.24 g/mol. Its IUPAC name is 1-[2-(3-bromophenyl)ethyl]-4-phenylimidazole-2-carbaldehyde.

Molecular Properties

Compound Name1-[2-(3-bromophenyl)ethyl]-4-phenylimidazole-2-carbaldehyde
PubChem CID86704027
Molecular FormulaC18H15BrN2O
Molecular Weight355.24 g/mol
Exact Mass354.04
IUPAC Name1-[2-(3-bromophenyl)ethyl]-4-phenylimidazole-2-carbaldehyde
SMILESO=Cc1nc(-c2ccccc2)cn1CCc1cccc(Br)c1
InChIInChI=1S/C18H15BrN2O/c19-16-8-4-5-14(11-16)9-10-21-12-17(20-18(21)13-22)15-6-2-1-3-7-15/h1-8,11-13H,9-10H2
InChIKeySAPMEQILYVOOIH-UHFFFAOYSA-N
XLogP4.37
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.24
LogP ≤ 54.37
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

1-(2-hydroxy-2-methylpropyl)-4-phenylimidazole-2-carbaldehyde
CID 87085677
4-phenyl-1-(2-phenylethyl)imidazol-2-amine
CID 154638135
4-(4-phenylphenyl)-1-(2-trimethylsilylethoxymethyl)imidazole-2-carbaldehyde
CID 141048810
5-iodo-4-phenyl-1-(2-phenylethyl)imidazole-2-carbaldehyde
CID 86704012
1-(2-hydroxy-2-methylpropyl)-4-phenylimidazole-2-carbaldehyde;1-[(2S)-2-hydroxypropyl]-4-phenylimidazole-2-carbaldehyde;1-[(2R)-2-hydroxypropyl]-4-phenylimidazole-2-carbaldehyde
CID 159037791
5-(1-benzyl-4-phenylimidazol-2-yl)-1,3-dimethylpyridin-2-one
CID 134306306
1-[2-(3-bromophenyl)ethyl]-5-propan-2-ylpyrazole-3-carboxylic acid
CID 84611172
1-bromo-3-(6-phenylhexyl)benzene
CID 145197049
1-[2-(3-bromophenyl)ethyl]-6-oxopyridazine-3-carboxylic acid
CID 84605285
2-[4-(3-bromophenyl)-6-phenylpyrimidin-2-yl]-4,6-diphenylpyrimidine
CID 154704995
2-amino-6-[2-(3-bromophenyl)ethyl]-3-methylpyrimidin-4-one
CID 11645215
N-benzyl-N-[(3-bromophenyl)methyl]formamide
CID 87851902

Frequently Asked Questions

What is the IUPAC name of 1-[2-(3-bromophenyl)ethyl]-4-phenylimidazole-2-carbaldehyde?
The IUPAC name of 1-[2-(3-bromophenyl)ethyl]-4-phenylimidazole-2-carbaldehyde (CID 86704027) is 1-[2-(3-bromophenyl)ethyl]-4-phenylimidazole-2-carbaldehyde.
What is the SMILES notation for 1-[2-(3-bromophenyl)ethyl]-4-phenylimidazole-2-carbaldehyde?
The canonical SMILES for 1-[2-(3-bromophenyl)ethyl]-4-phenylimidazole-2-carbaldehyde is O=Cc1nc(-c2ccccc2)cn1CCc1cccc(Br)c1.
What is the InChIKey of 1-[2-(3-bromophenyl)ethyl]-4-phenylimidazole-2-carbaldehyde?
The InChIKey is SAPMEQILYVOOIH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15BrN2O/c19-16-8-4-5-14(11-16)9-10-21-12-17(20-18(21)13-22)15-6-2-1-3-7-15/h1-8,11-13H,9-10H2.
What are the key properties of 1-[2-(3-bromophenyl)ethyl]-4-phenylimidazole-2-carbaldehyde?
1-[2-(3-bromophenyl)ethyl]-4-phenylimidazole-2-carbaldehyde has a molecular weight of 355.24 g/mol, XLogP of 4.37, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(3-bromophenyl)ethyl]-4-phenylimidazole-2-carbaldehyde is sourced from PubChem (CID 86704027), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).