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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Related Compounds

1-[[4-[(4-chlorophenyl)methoxymethyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20507999
1-[[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-4-[(2-chlorophenyl)methylsulfanylmethyl]-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
CID 70532832
1-[[4-[(3-chlorophenyl)methoxymethyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20508063
1-[[4-[(2-chlorophenyl)methylsulfanylmethyl]-2-[2-(4-methoxyphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20507852
1-[[2-[2-(4-bromophenyl)ethyl]-4-[(4-methylphenyl)methoxymethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20508004
1-[[2-[2-(4-methylphenyl)ethyl]-4-[[4-(trifluoromethyl)phenyl]methoxymethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20508002
1-[[2-[2-(4-chlorophenyl)ethyl]-4-[(4-phenylphenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
CID 67157895
[(2S,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methyl methanesulfonate
CID 18648489
4-[[(2R,4S)-2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]phenol;hydrochloride
CID 25143214
1-[[2-[2-(4-chlorophenyl)ethyl]-4-propyl-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547720
4-[[2-[2-(4-chlorophenyl)ethyl]-2-(imidazol-1-ylmethyl)-1,3-dioxolan-4-yl]methoxy]-N-methylaniline
CID 19813133
1-[[(2R,4S)-2-[2-(4-chlorophenyl)ethyl]-4-[(4-iodophenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole;hydrochloride
CID 66679073

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).