5-iodo-4-phenyl-1-(2-phenylethyl)imidazole-2-carbaldehyde

C18H15IN2O — CID 86704012

IUPAC5-iodo-4-phenyl-1-(2-phenylethyl)imidazole-2-carbaldehyde
SMILESO=Cc1nc(-c2ccccc2)c(I)n1CCc1ccccc1
InChIInChI=1S/C18H15IN2O/c19-18-17(15-9-5-2-6-10-15)20-16(13-22)21(18)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2
InChIKeyPWDDWCDBWKJGMJ-UHFFFAOYSA-N
MW402.24 g/mol
LogP4.21
Rot. Bonds5

About 5-iodo-4-phenyl-1-(2-phenylethyl)imidazole-2-carbaldehyde

5-iodo-4-phenyl-1-(2-phenylethyl)imidazole-2-carbaldehyde (PubChem CID 86704012) has the molecular formula C18H15IN2O and a molecular weight of 402.24 g/mol. Its IUPAC name is 5-iodo-4-phenyl-1-(2-phenylethyl)imidazole-2-carbaldehyde.

Molecular Properties

Compound Name5-iodo-4-phenyl-1-(2-phenylethyl)imidazole-2-carbaldehyde
PubChem CID86704012
Molecular FormulaC18H15IN2O
Molecular Weight402.24 g/mol
Exact Mass402.02
IUPAC Name5-iodo-4-phenyl-1-(2-phenylethyl)imidazole-2-carbaldehyde
SMILESO=Cc1nc(-c2ccccc2)c(I)n1CCc1ccccc1
InChIInChI=1S/C18H15IN2O/c19-18-17(15-9-5-2-6-10-15)20-16(13-22)21(18)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2
InChIKeyPWDDWCDBWKJGMJ-UHFFFAOYSA-N
XLogP4.21
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500402.24
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

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Related Compounds

5-chloro-2-phenyl-3-(2-phenylethyl)imidazole-4-carbaldehyde
CID 15099341
4,5-diphenyl-2-(2-phenylethyl)triazole
CID 102048499
1-[2-(3-bromophenyl)ethyl]-4-phenylimidazole-2-carbaldehyde
CID 86704027
3-benzyl-5-phenyl-4-(2-phenylethyl)-1,2,4-triazole
CID 86058172
4-phenyl-1-(2-phenylethyl)imidazol-2-amine
CID 154638135
1-(2-phenylethyl)imidazole-4-carbaldehyde
CID 22289872
1-(2-phenylethyl)indole
CID 12601752
4-(2-phenylethyl)-1,2,4-triazole-3,5-diamine
CID 175917505
2-(2-phenylethenyl)-3-(2-phenylethyl)quinazolin-4-one
CID 2940266
4,6-diphenyl-1-(2-phenylethyl)pyridin-2-one
CID 71326926
1-(2-phenylethyl)pyrrolo[3,2-b]pyridine
CID 67260198
N-[2-[1-(2-phenylethyl)benzimidazol-2-yl]ethyl]formamide
CID 2992201

Frequently Asked Questions

What is the IUPAC name of 5-iodo-4-phenyl-1-(2-phenylethyl)imidazole-2-carbaldehyde?
The IUPAC name of 5-iodo-4-phenyl-1-(2-phenylethyl)imidazole-2-carbaldehyde (CID 86704012) is 5-iodo-4-phenyl-1-(2-phenylethyl)imidazole-2-carbaldehyde.
What is the SMILES notation for 5-iodo-4-phenyl-1-(2-phenylethyl)imidazole-2-carbaldehyde?
The canonical SMILES for 5-iodo-4-phenyl-1-(2-phenylethyl)imidazole-2-carbaldehyde is O=Cc1nc(-c2ccccc2)c(I)n1CCc1ccccc1.
What is the InChIKey of 5-iodo-4-phenyl-1-(2-phenylethyl)imidazole-2-carbaldehyde?
The InChIKey is PWDDWCDBWKJGMJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15IN2O/c19-18-17(15-9-5-2-6-10-15)20-16(13-22)21(18)12-11-14-7-3-1-4-8-14/h1-10,13H,11-12H2.
What are the key properties of 5-iodo-4-phenyl-1-(2-phenylethyl)imidazole-2-carbaldehyde?
5-iodo-4-phenyl-1-(2-phenylethyl)imidazole-2-carbaldehyde has a molecular weight of 402.24 g/mol, XLogP of 4.21, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-iodo-4-phenyl-1-(2-phenylethyl)imidazole-2-carbaldehyde is sourced from PubChem (CID 86704012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).