5-chloro-2-phenyl-3-(2-phenylethyl)imidazole-4-carbaldehyde

C18H15ClN2O — CID 15099341

IUPAC5-chloro-2-phenyl-3-(2-phenylethyl)imidazole-4-carbaldehyde
SMILESO=Cc1c(Cl)nc(-c2ccccc2)n1CCc1ccccc1
InChIInChI=1S/C18H15ClN2O/c19-17-16(13-22)21(12-11-14-7-3-1-4-8-14)18(20-17)15-9-5-2-6-10-15/h1-10,13H,11-12H2
InChIKeyCCDHMLZWYVZIDH-UHFFFAOYSA-N
MW310.78 g/mol
LogP4.26
Rot. Bonds5

About 5-chloro-2-phenyl-3-(2-phenylethyl)imidazole-4-carbaldehyde

5-chloro-2-phenyl-3-(2-phenylethyl)imidazole-4-carbaldehyde (PubChem CID 15099341) has the molecular formula C18H15ClN2O and a molecular weight of 310.78 g/mol. Its IUPAC name is 5-chloro-2-phenyl-3-(2-phenylethyl)imidazole-4-carbaldehyde.

Molecular Properties

Compound Name5-chloro-2-phenyl-3-(2-phenylethyl)imidazole-4-carbaldehyde
PubChem CID15099341
Molecular FormulaC18H15ClN2O
Molecular Weight310.78 g/mol
Exact Mass310.09
IUPAC Name5-chloro-2-phenyl-3-(2-phenylethyl)imidazole-4-carbaldehyde
SMILESO=Cc1c(Cl)nc(-c2ccccc2)n1CCc1ccccc1
InChIInChI=1S/C18H15ClN2O/c19-17-16(13-22)21(12-11-14-7-3-1-4-8-14)18(20-17)15-9-5-2-6-10-15/h1-10,13H,11-12H2
InChIKeyCCDHMLZWYVZIDH-UHFFFAOYSA-N
XLogP4.26
TPSA34.89 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500310.78
LogP ≤ 54.26
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

3-benzyl-5-chloro-2-(3-methoxyphenyl)imidazole-4-carbaldehyde
CID 15099328
5-chloro-3-cyclohexyl-2-phenylimidazole-4-carbaldehyde
CID 86623638
(E)-3-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)prop-2-enoic acid
CID 15099439
2-(4-chlorophenyl)-1-(2-phenylethyl)benzimidazole
CID 5095173
5-iodo-4-phenyl-1-(2-phenylethyl)imidazole-2-carbaldehyde
CID 86704012
3-benzyl-5-phenyl-4-(2-phenylethyl)-1,2,4-triazole
CID 86058172
N'-[2-[4-[(4-chloro-5-formyl-2-phenylimidazol-1-yl)methyl]phenyl]phenyl]sulfonyl-N,N-dimethylmethanimidamide
CID 86757706
1-benzyl-4,5-dichloro-2-(4-methylphenyl)imidazole
CID 45112125
2-(3-benzyl-5-chloro-2-phenylimidazol-4-yl)acetonitrile
CID 15099388
3-[2-(4-hydroxyphenyl)ethyl]-2-phenylquinazolin-4-one
CID 142893421
2-(4-fluorophenyl)-5,6-dimethyl-3-(2-phenylethyl)pyrimidin-4-one
CID 46849277
4-methyl-2-(4-methylphenyl)-1-(2-phenylethyl)benzimidazole
CID 175774431

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-phenyl-3-(2-phenylethyl)imidazole-4-carbaldehyde?
The IUPAC name of 5-chloro-2-phenyl-3-(2-phenylethyl)imidazole-4-carbaldehyde (CID 15099341) is 5-chloro-2-phenyl-3-(2-phenylethyl)imidazole-4-carbaldehyde.
What is the SMILES notation for 5-chloro-2-phenyl-3-(2-phenylethyl)imidazole-4-carbaldehyde?
The canonical SMILES for 5-chloro-2-phenyl-3-(2-phenylethyl)imidazole-4-carbaldehyde is O=Cc1c(Cl)nc(-c2ccccc2)n1CCc1ccccc1.
What is the InChIKey of 5-chloro-2-phenyl-3-(2-phenylethyl)imidazole-4-carbaldehyde?
The InChIKey is CCDHMLZWYVZIDH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H15ClN2O/c19-17-16(13-22)21(12-11-14-7-3-1-4-8-14)18(20-17)15-9-5-2-6-10-15/h1-10,13H,11-12H2.
What are the key properties of 5-chloro-2-phenyl-3-(2-phenylethyl)imidazole-4-carbaldehyde?
5-chloro-2-phenyl-3-(2-phenylethyl)imidazole-4-carbaldehyde has a molecular weight of 310.78 g/mol, XLogP of 4.26, 5 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-phenyl-3-(2-phenylethyl)imidazole-4-carbaldehyde is sourced from PubChem (CID 15099341), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).