4,5-bis(3,5-dichlorophenyl)-1H-imidazole-2-carbaldehyde

C16H8Cl4N2O — CID 10317959

IUPAC4,5-bis(3,5-dichlorophenyl)-1H-imidazole-2-carbaldehyde
SMILESO=Cc1nc(-c2cc(Cl)cc(Cl)c2)c(-c2cc(Cl)cc(Cl)c2)[nH]1
InChIInChI=1S/C16H8Cl4N2O/c17-10-1-8(2-11(18)5-10)15-16(22-14(7-23)21-15)9-3-12(19)6-13(20)4-9/h1-7H,(H,21,22)
InChIKeyVBKUBFQFEUMEMG-UHFFFAOYSA-N
MW386.07 g/mol
LogP6.17
Rot. Bonds3

About 4,5-bis(3,5-dichlorophenyl)-1H-imidazole-2-carbaldehyde

4,5-bis(3,5-dichlorophenyl)-1H-imidazole-2-carbaldehyde (PubChem CID 10317959) has the molecular formula C16H8Cl4N2O and a molecular weight of 386.07 g/mol. Its IUPAC name is 4,5-bis(3,5-dichlorophenyl)-1H-imidazole-2-carbaldehyde.

Molecular Properties

Compound Name4,5-bis(3,5-dichlorophenyl)-1H-imidazole-2-carbaldehyde
PubChem CID10317959
Molecular FormulaC16H8Cl4N2O
Molecular Weight386.07 g/mol
Exact Mass383.94
IUPAC Name4,5-bis(3,5-dichlorophenyl)-1H-imidazole-2-carbaldehyde
SMILESO=Cc1nc(-c2cc(Cl)cc(Cl)c2)c(-c2cc(Cl)cc(Cl)c2)[nH]1
InChIInChI=1S/C16H8Cl4N2O/c17-10-1-8(2-11(18)5-10)15-16(22-14(7-23)21-15)9-3-12(19)6-13(20)4-9/h1-7H,(H,21,22)
InChIKeyVBKUBFQFEUMEMG-UHFFFAOYSA-N
XLogP6.17
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500386.07
LogP ≤ 56.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

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

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Related Compounds

4,5-bis(4-chlorophenyl)-N-cyclohexyl-1H-imidazole-2-carboxamide
CID 10112443
2-(3-Chlorophenyl)-4,5-diphenyl-1H-imidazole
CID 689900
4,5-Bis(3,5-dichlorophenyl)-2-trifluoromethyl-1h-imidazole
CID 44265009
4,5-bis(3,5-dichlorophenyl)-N-ethyl-1H-imidazole-2-carboxamide
CID 44264917
methyl 4,5-bis(3,5-dichlorophenyl)-1H-imidazole-2-carboxylate
CID 44264941
4,5-bis(3,5-dichlorophenyl)-1H-imidazol-2-amine
CID 44264946
4,5-bis(3,5-dichlorophenyl)-2-methyl-1H-imidazole
CID 44265062
2-(2,4-dichlorophenyl)-4,5-diphenyl-1H-imidazole
CID 1895523
2-(2,6-dichlorophenyl)-4,5-diphenyl-1H-imidazole
CID 1933876
4,5-diphenyl-1H-imidazole-2-carboxamide
CID 69638195
2-(4-chlorophenyl)-5-(2-fluoroethyl)-4-phenyl-1H-imidazole
CID 13470701
4,5-bis(4-chlorophenyl)-N-(4-fluorophenyl)-1H-imidazole-2-carboxamide
CID 14100150

Frequently Asked Questions

What is the IUPAC name of 4,5-bis(3,5-dichlorophenyl)-1H-imidazole-2-carbaldehyde?
The IUPAC name of 4,5-bis(3,5-dichlorophenyl)-1H-imidazole-2-carbaldehyde (CID 10317959) is 4,5-bis(3,5-dichlorophenyl)-1H-imidazole-2-carbaldehyde.
What is the SMILES notation for 4,5-bis(3,5-dichlorophenyl)-1H-imidazole-2-carbaldehyde?
The canonical SMILES for 4,5-bis(3,5-dichlorophenyl)-1H-imidazole-2-carbaldehyde is O=Cc1nc(-c2cc(Cl)cc(Cl)c2)c(-c2cc(Cl)cc(Cl)c2)[nH]1.
What is the InChIKey of 4,5-bis(3,5-dichlorophenyl)-1H-imidazole-2-carbaldehyde?
The InChIKey is VBKUBFQFEUMEMG-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H8Cl4N2O/c17-10-1-8(2-11(18)5-10)15-16(22-14(7-23)21-15)9-3-12(19)6-13(20)4-9/h1-7H,(H,21,22).
What are the key properties of 4,5-bis(3,5-dichlorophenyl)-1H-imidazole-2-carbaldehyde?
4,5-bis(3,5-dichlorophenyl)-1H-imidazole-2-carbaldehyde has a molecular weight of 386.07 g/mol, XLogP of 6.17, 3 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4,5-bis(3,5-dichlorophenyl)-1H-imidazole-2-carbaldehyde is sourced from PubChem (CID 10317959), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).