1-[[4-[(2-chlorophenyl)methoxymethyl]-2-[2-(4-fluorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole

C23H24ClFN2O3 — CID 20508252

IUPAC1-[[4-[(2-chlorophenyl)methoxymethyl]-2-[2-(4-fluorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
SMILESFc1ccc(CCC2(Cn3ccnc3)OCC(COCc3ccccc3Cl)O2)cc1
InChIInChI=1S/C23H24ClFN2O3/c24-22-4-2-1-3-19(22)13-28-14-21-15-29-23(30-21,16-27-12-11-26-17-27)10-9-18-5-7-20(25)8-6-18/h1-8,11-12,17,21H,9-10,13-16H2
InChIKeyQSGHZGPBSJYJTO-UHFFFAOYSA-N
MW430.91 g/mol
LogP4.64
Rot. Bonds9

About 1-[[4-[(2-chlorophenyl)methoxymethyl]-2-[2-(4-fluorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole

1-[[4-[(2-chlorophenyl)methoxymethyl]-2-[2-(4-fluorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole (PubChem CID 20508252) has the molecular formula C23H24ClFN2O3 and a molecular weight of 430.91 g/mol. Its IUPAC name is 1-[[4-[(2-chlorophenyl)methoxymethyl]-2-[2-(4-fluorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[4-[(2-chlorophenyl)methoxymethyl]-2-[2-(4-fluorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
PubChem CID20508252
Molecular FormulaC23H24ClFN2O3
Molecular Weight430.91 g/mol
Exact Mass430.15
IUPAC Name1-[[4-[(2-chlorophenyl)methoxymethyl]-2-[2-(4-fluorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
SMILESFc1ccc(CCC2(Cn3ccnc3)OCC(COCc3ccccc3Cl)O2)cc1
InChIInChI=1S/C23H24ClFN2O3/c24-22-4-2-1-3-19(22)13-28-14-21-15-29-23(30-21,16-27-12-11-26-17-27)10-9-18-5-7-20(25)8-6-18/h1-8,11-12,17,21H,9-10,13-16H2
InChIKeyQSGHZGPBSJYJTO-UHFFFAOYSA-N
XLogP4.64
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms30
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.91
LogP ≤ 54.64
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[[4-[(2-chlorophenyl)methoxymethyl]-2-[2-(4-fluorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole?
The IUPAC name of 1-[[4-[(2-chlorophenyl)methoxymethyl]-2-[2-(4-fluorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole (CID 20508252) is 1-[[4-[(2-chlorophenyl)methoxymethyl]-2-[2-(4-fluorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[4-[(2-chlorophenyl)methoxymethyl]-2-[2-(4-fluorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[4-[(2-chlorophenyl)methoxymethyl]-2-[2-(4-fluorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole is Fc1ccc(CCC2(Cn3ccnc3)OCC(COCc3ccccc3Cl)O2)cc1.
What is the InChIKey of 1-[[4-[(2-chlorophenyl)methoxymethyl]-2-[2-(4-fluorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole?
The InChIKey is QSGHZGPBSJYJTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H24ClFN2O3/c24-22-4-2-1-3-19(22)13-28-14-21-15-29-23(30-21,16-27-12-11-26-17-27)10-9-18-5-7-20(25)8-6-18/h1-8,11-12,17,21H,9-10,13-16H2.
What are the key properties of 1-[[4-[(2-chlorophenyl)methoxymethyl]-2-[2-(4-fluorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole?
1-[[4-[(2-chlorophenyl)methoxymethyl]-2-[2-(4-fluorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole has a molecular weight of 430.91 g/mol, XLogP of 4.64, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-[(2-chlorophenyl)methoxymethyl]-2-[2-(4-fluorophenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole is sourced from PubChem (CID 20508252), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).