2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-diphenyl-2H-imidazole

C35H28Cl2N2O2 — CID 91579106

IUPAC2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-diphenyl-2H-imidazole
SMILESCOc1ccc(C2=C(c3ccccc3Cl)N(c3ccccc3)C(c3ccccc3Cl)N2c2ccccc2)cc1OC
InChIInChI=1S/C35H28Cl2N2O2/c1-40-31-22-21-24(23-32(31)41-2)33-34(27-17-9-11-19-29(27)36)39(26-15-7-4-8-16-26)35(28-18-10-12-20-30(28)37)38(33)25-13-5-3-6-14-25/h3-23,35H,1-2H3
InChIKeyPDSUERYAJUFFRN-UHFFFAOYSA-N
MW579.53 g/mol
LogP9.56
Rot. Bonds7

About 2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-diphenyl-2H-imidazole

2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-diphenyl-2H-imidazole (PubChem CID 91579106) has the molecular formula C35H28Cl2N2O2 and a molecular weight of 579.53 g/mol. Its IUPAC name is 2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-diphenyl-2H-imidazole.

Molecular Properties

Compound Name2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-diphenyl-2H-imidazole
PubChem CID91579106
Molecular FormulaC35H28Cl2N2O2
Molecular Weight579.53 g/mol
Exact Mass578.15
IUPAC Name2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-diphenyl-2H-imidazole
SMILESCOc1ccc(C2=C(c3ccccc3Cl)N(c3ccccc3)C(c3ccccc3Cl)N2c2ccccc2)cc1OC
InChIInChI=1S/C35H28Cl2N2O2/c1-40-31-22-21-24(23-32(31)41-2)33-34(27-17-9-11-19-29(27)36)39(26-15-7-4-8-16-26)35(28-18-10-12-20-30(28)37)38(33)25-13-5-3-6-14-25/h3-23,35H,1-2H3
InChIKeyPDSUERYAJUFFRN-UHFFFAOYSA-N
XLogP9.56
TPSA24.94 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500579.53
LogP ≤ 59.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-diphenyl-2H-imidazole?
The IUPAC name of 2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-diphenyl-2H-imidazole (CID 91579106) is 2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-diphenyl-2H-imidazole.
What is the SMILES notation for 2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-diphenyl-2H-imidazole?
The canonical SMILES for 2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-diphenyl-2H-imidazole is COc1ccc(C2=C(c3ccccc3Cl)N(c3ccccc3)C(c3ccccc3Cl)N2c2ccccc2)cc1OC.
What is the InChIKey of 2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-diphenyl-2H-imidazole?
The InChIKey is PDSUERYAJUFFRN-UHFFFAOYSA-N. The full InChI is InChI=1S/C35H28Cl2N2O2/c1-40-31-22-21-24(23-32(31)41-2)33-34(27-17-9-11-19-29(27)36)39(26-15-7-4-8-16-26)35(28-18-10-12-20-30(28)37)38(33)25-13-5-3-6-14-25/h3-23,35H,1-2H3.
What are the key properties of 2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-diphenyl-2H-imidazole?
2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-diphenyl-2H-imidazole has a molecular weight of 579.53 g/mol, XLogP of 9.56, 7 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-bis(2-chlorophenyl)-5-(3,4-dimethoxyphenyl)-1,3-diphenyl-2H-imidazole is sourced from PubChem (CID 91579106), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).