1-[2-(1-adamantyl)-2-(3-phenylpropoxy)ethyl]imidazole

C24H32N2O — CID 21424100

IUPAC1-[2-(1-adamantyl)-2-(3-phenylpropoxy)ethyl]imidazole
SMILESc1ccc(CCCOC(Cn2ccnc2)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H32N2O/c1-2-5-19(6-3-1)7-4-10-27-23(17-26-9-8-25-18-26)24-14-20-11-21(15-24)13-22(12-20)16-24/h1-3,5-6,8-9,18,20-23H,4,7,10-17H2
InChIKeyHIQZSOGPLSIVNA-UHFFFAOYSA-N
MW364.53 g/mol
LogP5.12
Rot. Bonds8

About 1-[2-(1-adamantyl)-2-(3-phenylpropoxy)ethyl]imidazole

1-[2-(1-adamantyl)-2-(3-phenylpropoxy)ethyl]imidazole (PubChem CID 21424100) has the molecular formula C24H32N2O and a molecular weight of 364.53 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)-2-(3-phenylpropoxy)ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(1-adamantyl)-2-(3-phenylpropoxy)ethyl]imidazole
PubChem CID21424100
Molecular FormulaC24H32N2O
Molecular Weight364.53 g/mol
Exact Mass364.25
IUPAC Name1-[2-(1-adamantyl)-2-(3-phenylpropoxy)ethyl]imidazole
SMILESc1ccc(CCCOC(Cn2ccnc2)C23CC4CC(CC(C4)C2)C3)cc1
InChIInChI=1S/C24H32N2O/c1-2-5-19(6-3-1)7-4-10-27-23(17-26-9-8-25-18-26)24-14-20-11-21(15-24)13-22(12-20)16-24/h1-3,5-6,8-9,18,20-23H,4,7,10-17H2
InChIKeyHIQZSOGPLSIVNA-UHFFFAOYSA-N
XLogP5.12
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500364.53
LogP ≤ 55.12
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

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

Analyze 1-[2-(1-adamantyl)-2-(3-phenylpropoxy)ethyl]imidazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

1-[2-(1-adamantyl)-2-phenylsulfanylethyl]imidazole
CID 21424033
1-[2-(1-adamantyl)-2-[(2,3-difluorophenyl)-fluoromethoxy]ethyl]imidazole
CID 21424107
1-(8-phenyloctyl)imidazole
CID 102394184
1-[2-(1-adamantyl)-2-propylsulfanylethyl]imidazole
CID 21424079
1-[[2-(3-phenylpropyl)-1,3-dithiolan-2-yl]methyl]imidazole
CID 20518699
1-(2-benzyl-4-phenylbutyl)imidazole
CID 70559586
1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547857
1-[2-(1-adamantyl)-2-(3-bromo-4-methylphenyl)sulfanylethyl]imidazole
CID 21424088
1-[2-(1-adamantyl)-2-(4-tert-butyl-2-methylphenyl)sulfanylethyl]imidazole
CID 21424039
1-[5-(4-chlorophenyl)-2-(2-phenylethyl)pentyl]imidazole
CID 70554769
1-[[5-methyl-2-(2-phenylethyl)-1,3-dithian-2-yl]methyl]imidazole
CID 20518796
1-[[2-(3-phenylpropyl)-1,3-dithian-2-yl]methyl]imidazole
CID 20518793

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyl)-2-(3-phenylpropoxy)ethyl]imidazole?
The IUPAC name of 1-[2-(1-adamantyl)-2-(3-phenylpropoxy)ethyl]imidazole (CID 21424100) is 1-[2-(1-adamantyl)-2-(3-phenylpropoxy)ethyl]imidazole.
What is the SMILES notation for 1-[2-(1-adamantyl)-2-(3-phenylpropoxy)ethyl]imidazole?
The canonical SMILES for 1-[2-(1-adamantyl)-2-(3-phenylpropoxy)ethyl]imidazole is c1ccc(CCCOC(Cn2ccnc2)C23CC4CC(CC(C4)C2)C3)cc1.
What is the InChIKey of 1-[2-(1-adamantyl)-2-(3-phenylpropoxy)ethyl]imidazole?
The InChIKey is HIQZSOGPLSIVNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H32N2O/c1-2-5-19(6-3-1)7-4-10-27-23(17-26-9-8-25-18-26)24-14-20-11-21(15-24)13-22(12-20)16-24/h1-3,5-6,8-9,18,20-23H,4,7,10-17H2.
What are the key properties of 1-[2-(1-adamantyl)-2-(3-phenylpropoxy)ethyl]imidazole?
1-[2-(1-adamantyl)-2-(3-phenylpropoxy)ethyl]imidazole has a molecular weight of 364.53 g/mol, XLogP of 5.12, 8 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(1-adamantyl)-2-(3-phenylpropoxy)ethyl]imidazole is sourced from PubChem (CID 21424100), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).