1-[1-(2,4-dichlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole

C24H20Cl2N2 — CID 510041

IUPAC1-[1-(2,4-dichlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole
SMILESClc1ccc(CC(Cc2ccc(-c3ccccc3)cc2)n2ccnc2)c(Cl)c1
InChIInChI=1S/C24H20Cl2N2/c25-22-11-10-21(24(26)16-22)15-23(28-13-12-27-17-28)14-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-13,16-17,23H,14-15H2
InChIKeyNVQBYKHOPUTNFK-UHFFFAOYSA-N
MW407.34 g/mol
LogP6.88
Rot. Bonds6

About 1-[1-(2,4-dichlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole

1-[1-(2,4-dichlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole (PubChem CID 510041) has the molecular formula C24H20Cl2N2 and a molecular weight of 407.34 g/mol. Its IUPAC name is 1-[1-(2,4-dichlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole.

Molecular Properties

Compound Name1-[1-(2,4-dichlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole
PubChem CID510041
Molecular FormulaC24H20Cl2N2
Molecular Weight407.34 g/mol
Exact Mass406.10
IUPAC Name1-[1-(2,4-dichlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole
SMILESClc1ccc(CC(Cc2ccc(-c3ccccc3)cc2)n2ccnc2)c(Cl)c1
InChIInChI=1S/C24H20Cl2N2/c25-22-11-10-21(24(26)16-22)15-23(28-13-12-27-17-28)14-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-13,16-17,23H,14-15H2
InChIKeyNVQBYKHOPUTNFK-UHFFFAOYSA-N
XLogP6.88
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500407.34
LogP ≤ 56.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2,4-dichlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole?
The IUPAC name of 1-[1-(2,4-dichlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole (CID 510041) is 1-[1-(2,4-dichlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole.
What is the SMILES notation for 1-[1-(2,4-dichlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole?
The canonical SMILES for 1-[1-(2,4-dichlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole is Clc1ccc(CC(Cc2ccc(-c3ccccc3)cc2)n2ccnc2)c(Cl)c1.
What is the InChIKey of 1-[1-(2,4-dichlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole?
The InChIKey is NVQBYKHOPUTNFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20Cl2N2/c25-22-11-10-21(24(26)16-22)15-23(28-13-12-27-17-28)14-18-6-8-20(9-7-18)19-4-2-1-3-5-19/h1-13,16-17,23H,14-15H2.
What are the key properties of 1-[1-(2,4-dichlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole?
1-[1-(2,4-dichlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole has a molecular weight of 407.34 g/mol, XLogP of 6.88, 6 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2,4-dichlorophenyl)-3-(4-phenylphenyl)propan-2-yl]imidazole is sourced from PubChem (CID 510041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).