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

C23H34N2O3 — CID 20547884

IUPAC1-[2-[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]ethyl]imidazole
SMILESCCCC1(CCC)COC(CCn2ccnc2)(Cc2cccc(OC)c2)OC1
InChIInChI=1S/C23H34N2O3/c1-4-9-22(10-5-2)17-27-23(28-18-22,11-13-25-14-12-24-19-25)16-20-7-6-8-21(15-20)26-3/h6-8,12,14-15,19H,4-5,9-11,13,16-18H2,1-3H3
InChIKeyKDVONFQXNNJIJJ-UHFFFAOYSA-N
MW386.54 g/mol
LogP4.85
Rot. Bonds10

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

1-[2-[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]ethyl]imidazole (PubChem CID 20547884) has the molecular formula C23H34N2O3 and a molecular weight of 386.54 g/mol. Its IUPAC name is 1-[2-[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]ethyl]imidazole
PubChem CID20547884
Molecular FormulaC23H34N2O3
Molecular Weight386.54 g/mol
Exact Mass386.26
IUPAC Name1-[2-[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]ethyl]imidazole
SMILESCCCC1(CCC)COC(CCn2ccnc2)(Cc2cccc(OC)c2)OC1
InChIInChI=1S/C23H34N2O3/c1-4-9-22(10-5-2)17-27-23(28-18-22,11-13-25-14-12-24-19-25)16-20-7-6-8-21(15-20)26-3/h6-8,12,14-15,19H,4-5,9-11,13,16-18H2,1-3H3
InChIKeyKDVONFQXNNJIJJ-UHFFFAOYSA-N
XLogP4.85
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500386.54
LogP ≤ 54.85
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole
CID 20547944
1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547846
1-[2-[2-[(3-methylphenyl)methyl]-1,3-dioxolan-2-yl]ethyl]imidazole
CID 20547788
1-[2-[2-[(4-bromophenyl)methyl]-5,5-diethyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547488
1-[2-[2-[(4-butoxyphenyl)methyl]-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20548022
1-[2-(2-benzyl-1,3-dioxan-2-yl)ethyl]imidazole
CID 20547993
1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20548074
2-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]ethanamine
CID 60657937
1-[2-[2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547874
3-imidazol-1-yl-N-[(3-methoxyphenyl)methyl]propan-1-amine;hydrochloride
CID 17155515
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

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]ethyl]imidazole?
The IUPAC name of 1-[2-[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]ethyl]imidazole (CID 20547884) is 1-[2-[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]ethyl]imidazole.
What is the SMILES notation for 1-[2-[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]ethyl]imidazole?
The canonical SMILES for 1-[2-[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]ethyl]imidazole is CCCC1(CCC)COC(CCn2ccnc2)(Cc2cccc(OC)c2)OC1.
What is the InChIKey of 1-[2-[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]ethyl]imidazole?
The InChIKey is KDVONFQXNNJIJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H34N2O3/c1-4-9-22(10-5-2)17-27-23(28-18-22,11-13-25-14-12-24-19-25)16-20-7-6-8-21(15-20)26-3/h6-8,12,14-15,19H,4-5,9-11,13,16-18H2,1-3H3.
What are the key properties of 1-[2-[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]ethyl]imidazole?
1-[2-[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]ethyl]imidazole has a molecular weight of 386.54 g/mol, XLogP of 4.85, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]ethyl]imidazole is sourced from PubChem (CID 20547884), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).