1-[2-(1-adamantyl)-2-[(2,3-difluorophenyl)-fluoromethoxy]ethyl]imidazole

C22H25F3N2O — CID 21424107

IUPAC1-[2-(1-adamantyl)-2-[(2,3-difluorophenyl)-fluoromethoxy]ethyl]imidazole
SMILESFc1cccc(C(F)OC(Cn2ccnc2)C23CC4CC(CC(C4)C2)C3)c1F
InChIInChI=1S/C22H25F3N2O/c23-18-3-1-2-17(20(18)24)21(25)28-19(12-27-5-4-26-13-27)22-9-14-6-15(10-22)8-16(7-14)11-22/h1-5,13-16,19,21H,6-12H2
InChIKeyFGEAIJWIYLBUFE-UHFFFAOYSA-N
MW390.45 g/mol
LogP5.43
Rot. Bonds6

About 1-[2-(1-adamantyl)-2-[(2,3-difluorophenyl)-fluoromethoxy]ethyl]imidazole

1-[2-(1-adamantyl)-2-[(2,3-difluorophenyl)-fluoromethoxy]ethyl]imidazole (PubChem CID 21424107) has the molecular formula C22H25F3N2O and a molecular weight of 390.45 g/mol. Its IUPAC name is 1-[2-(1-adamantyl)-2-[(2,3-difluorophenyl)-fluoromethoxy]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-(1-adamantyl)-2-[(2,3-difluorophenyl)-fluoromethoxy]ethyl]imidazole
PubChem CID21424107
Molecular FormulaC22H25F3N2O
Molecular Weight390.45 g/mol
Exact Mass390.19
IUPAC Name1-[2-(1-adamantyl)-2-[(2,3-difluorophenyl)-fluoromethoxy]ethyl]imidazole
SMILESFc1cccc(C(F)OC(Cn2ccnc2)C23CC4CC(CC(C4)C2)C3)c1F
InChIInChI=1S/C22H25F3N2O/c23-18-3-1-2-17(20(18)24)21(25)28-19(12-27-5-4-26-13-27)22-9-14-6-15(10-22)8-16(7-14)11-22/h1-5,13-16,19,21H,6-12H2
InChIKeyFGEAIJWIYLBUFE-UHFFFAOYSA-N
XLogP5.43
TPSA27.05 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500390.45
LogP ≤ 55.43
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-[2-(1-adamantyl)-2-[(2,3-difluorophenyl)-fluoromethoxy]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-(3-phenylpropoxy)ethyl]imidazole
CID 21424100
1-(2,3-difluorophenyl)-N-ethyl-2-imidazol-1-ylethanamine
CID 114058314
1-[2-(1-adamantyl)-2-phenylsulfanylethyl]imidazole
CID 21424033
1-[2-(1-adamantyl)-2-propylsulfanylethyl]imidazole
CID 21424079
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-(2-fluorophenyl)-N-(1-imidazol-1-ylpropan-2-yl)propan-1-amine
CID 112631437
1-(2-fluorophenyl)-2-(1-imidazol-1-ylpropan-2-ylamino)ethanol
CID 61479260
1-(1-adamantyl)-3-imidazol-1-ylpropan-2-ol
CID 155555132
1-[2-(2-fluorophenyl)-2-(4-phenylphenyl)ethyl]imidazole
CID 12831919
N-[1-(2-fluorophenyl)ethyl]-3-imidazol-1-ylpropan-1-amine
CID 43126802
2-(1-chloroethyl)-4-fluoro-1-(1-imidazol-1-ylpropan-2-yl)benzimidazole
CID 61482856

Frequently Asked Questions

What is the IUPAC name of 1-[2-(1-adamantyl)-2-[(2,3-difluorophenyl)-fluoromethoxy]ethyl]imidazole?
The IUPAC name of 1-[2-(1-adamantyl)-2-[(2,3-difluorophenyl)-fluoromethoxy]ethyl]imidazole (CID 21424107) is 1-[2-(1-adamantyl)-2-[(2,3-difluorophenyl)-fluoromethoxy]ethyl]imidazole.
What is the SMILES notation for 1-[2-(1-adamantyl)-2-[(2,3-difluorophenyl)-fluoromethoxy]ethyl]imidazole?
The canonical SMILES for 1-[2-(1-adamantyl)-2-[(2,3-difluorophenyl)-fluoromethoxy]ethyl]imidazole is Fc1cccc(C(F)OC(Cn2ccnc2)C23CC4CC(CC(C4)C2)C3)c1F.
What is the InChIKey of 1-[2-(1-adamantyl)-2-[(2,3-difluorophenyl)-fluoromethoxy]ethyl]imidazole?
The InChIKey is FGEAIJWIYLBUFE-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H25F3N2O/c23-18-3-1-2-17(20(18)24)21(25)28-19(12-27-5-4-26-13-27)22-9-14-6-15(10-22)8-16(7-14)11-22/h1-5,13-16,19,21H,6-12H2.
What are the key properties of 1-[2-(1-adamantyl)-2-[(2,3-difluorophenyl)-fluoromethoxy]ethyl]imidazole?
1-[2-(1-adamantyl)-2-[(2,3-difluorophenyl)-fluoromethoxy]ethyl]imidazole has a molecular weight of 390.45 g/mol, XLogP of 5.43, 6 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-[(2,3-difluorophenyl)-fluoromethoxy]ethyl]imidazole is sourced from PubChem (CID 21424107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).