1-[[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole

C22H32N2O3 — CID 20547944

IUPAC1-[[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole
SMILESCCCC1(CCC)COC(Cc2cccc(OC)c2)(Cn2ccnc2)OC1
InChIInChI=1S/C22H32N2O3/c1-4-9-21(10-5-2)16-26-22(27-17-21,15-24-12-11-23-18-24)14-19-7-6-8-20(13-19)25-3/h6-8,11-13,18H,4-5,9-10,14-17H2,1-3H3
InChIKeyZQCJBZYEKVJYMO-UHFFFAOYSA-N
MW372.51 g/mol
LogP4.46
Rot. Bonds9

About 1-[[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole

1-[[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole (PubChem CID 20547944) has the molecular formula C22H32N2O3 and a molecular weight of 372.51 g/mol. Its IUPAC name is 1-[[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole
PubChem CID20547944
Molecular FormulaC22H32N2O3
Molecular Weight372.51 g/mol
Exact Mass372.24
IUPAC Name1-[[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole
SMILESCCCC1(CCC)COC(Cc2cccc(OC)c2)(Cn2ccnc2)OC1
InChIInChI=1S/C22H32N2O3/c1-4-9-21(10-5-2)16-26-22(27-17-21,15-24-12-11-23-18-24)14-19-7-6-8-20(13-19)25-3/h6-8,11-13,18H,4-5,9-10,14-17H2,1-3H3
InChIKeyZQCJBZYEKVJYMO-UHFFFAOYSA-N
XLogP4.46
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds9
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.51
LogP ≤ 54.46
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547884
1-[[2-[2-(4-fluorophenyl)ethyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole
CID 20547952
1-[[5,5-diethyl-2-[2-(3-methylphenyl)ethyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20548075
1-[[5,5-dipropyl-2-[2-(2,3,5,6-tetramethylphenyl)ethyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20548070
1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide
CID 20547508
1-[[2-[2-(4-methoxyphenyl)ethyl]-5,5-di(propan-2-yl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547920
1-[[4-[(3-methoxyphenyl)methylsulfanylmethyl]-2-[2-(4-methylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20508231
1-[[5,5-diethyl-2-[(2,4,6-trimethylphenyl)methyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20547519
1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547846
1-[[2-[2-(3-methylphenyl)ethyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20547713
2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60657937
1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547857

Frequently Asked Questions

What is the IUPAC name of 1-[[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole?
The IUPAC name of 1-[[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole (CID 20547944) is 1-[[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole is CCCC1(CCC)COC(Cc2cccc(OC)c2)(Cn2ccnc2)OC1.
What is the InChIKey of 1-[[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole?
The InChIKey is ZQCJBZYEKVJYMO-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H32N2O3/c1-4-9-21(10-5-2)16-26-22(27-17-21,15-24-12-11-23-18-24)14-19-7-6-8-20(13-19)25-3/h6-8,11-13,18H,4-5,9-10,14-17H2,1-3H3.
What are the key properties of 1-[[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole?
1-[[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole has a molecular weight of 372.51 g/mol, XLogP of 4.46, 9 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole is sourced from PubChem (CID 20547944), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).