2-[(2,4-dichlorophenyl)methyl]-5-hexyl-4-phenyl-1H-imidazole

C22H24Cl2N2 — CID 45380632

IUPAC2-[(2,4-dichlorophenyl)methyl]-5-hexyl-4-phenyl-1H-imidazole
SMILESCCCCCCc1[nH]c(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1
InChIInChI=1S/C22H24Cl2N2/c1-2-3-4-8-11-20-22(16-9-6-5-7-10-16)26-21(25-20)14-17-12-13-18(23)15-19(17)24/h5-7,9-10,12-13,15H,2-4,8,11,14H2,1H3,(H,25,26)
InChIKeyZMUCHMSMYCICNZ-UHFFFAOYSA-N
MW387.35 g/mol
LogP7.10
Rot. Bonds8

About 2-[(2,4-dichlorophenyl)methyl]-5-hexyl-4-phenyl-1H-imidazole

2-[(2,4-dichlorophenyl)methyl]-5-hexyl-4-phenyl-1H-imidazole (PubChem CID 45380632) has the molecular formula C22H24Cl2N2 and a molecular weight of 387.35 g/mol. Its IUPAC name is 2-[(2,4-dichlorophenyl)methyl]-5-hexyl-4-phenyl-1H-imidazole.

Molecular Properties

Compound Name2-[(2,4-dichlorophenyl)methyl]-5-hexyl-4-phenyl-1H-imidazole
PubChem CID45380632
Molecular FormulaC22H24Cl2N2
Molecular Weight387.35 g/mol
Exact Mass386.13
IUPAC Name2-[(2,4-dichlorophenyl)methyl]-5-hexyl-4-phenyl-1H-imidazole
SMILESCCCCCCc1[nH]c(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1
InChIInChI=1S/C22H24Cl2N2/c1-2-3-4-8-11-20-22(16-9-6-5-7-10-16)26-21(25-20)14-17-12-13-18(23)15-19(17)24/h5-7,9-10,12-13,15H,2-4,8,11,14H2,1H3,(H,25,26)
InChIKeyZMUCHMSMYCICNZ-UHFFFAOYSA-N
XLogP7.10
TPSA28.68 Ų
H-Bond Donors1
H-Bond Acceptors1
Rotatable Bonds8
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500387.35
LogP ≤ 57.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 101

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-5-hexyl-4-phenyl-1H-imidazole?
The IUPAC name of 2-[(2,4-dichlorophenyl)methyl]-5-hexyl-4-phenyl-1H-imidazole (CID 45380632) is 2-[(2,4-dichlorophenyl)methyl]-5-hexyl-4-phenyl-1H-imidazole.
What is the SMILES notation for 2-[(2,4-dichlorophenyl)methyl]-5-hexyl-4-phenyl-1H-imidazole?
The canonical SMILES for 2-[(2,4-dichlorophenyl)methyl]-5-hexyl-4-phenyl-1H-imidazole is CCCCCCc1[nH]c(Cc2ccc(Cl)cc2Cl)nc1-c1ccccc1.
What is the InChIKey of 2-[(2,4-dichlorophenyl)methyl]-5-hexyl-4-phenyl-1H-imidazole?
The InChIKey is ZMUCHMSMYCICNZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24Cl2N2/c1-2-3-4-8-11-20-22(16-9-6-5-7-10-16)26-21(25-20)14-17-12-13-18(23)15-19(17)24/h5-7,9-10,12-13,15H,2-4,8,11,14H2,1H3,(H,25,26).
What are the key properties of 2-[(2,4-dichlorophenyl)methyl]-5-hexyl-4-phenyl-1H-imidazole?
2-[(2,4-dichlorophenyl)methyl]-5-hexyl-4-phenyl-1H-imidazole has a molecular weight of 387.35 g/mol, XLogP of 7.10, 8 rotatable bonds, 1 hydrogen bond donors, and 1 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2,4-dichlorophenyl)methyl]-5-hexyl-4-phenyl-1H-imidazole is sourced from PubChem (CID 45380632), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).