1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole

C17H22N2O3 — CID 20547846

IUPAC1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
SMILESCOc1ccc(CC2(CCn3ccnc3)OCCCO2)cc1
InChIInChI=1S/C17H22N2O3/c1-20-16-5-3-15(4-6-16)13-17(21-11-2-12-22-17)7-9-19-10-8-18-14-19/h3-6,8,10,14H,2,7,9,11-13H2,1H3
InChIKeyLLARMGYJAWSKPH-UHFFFAOYSA-N
MW302.37 g/mol
LogP2.66
Rot. Bonds6

About 1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole

1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole (PubChem CID 20547846) has the molecular formula C17H22N2O3 and a molecular weight of 302.37 g/mol. Its IUPAC name is 1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
PubChem CID20547846
Molecular FormulaC17H22N2O3
Molecular Weight302.37 g/mol
Exact Mass302.16
IUPAC Name1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
SMILESCOc1ccc(CC2(CCn3ccnc3)OCCCO2)cc1
InChIInChI=1S/C17H22N2O3/c1-20-16-5-3-15(4-6-16)13-17(21-11-2-12-22-17)7-9-19-10-8-18-14-19/h3-6,8,10,14H,2,7,9,11-13H2,1H3
InChIKeyLLARMGYJAWSKPH-UHFFFAOYSA-N
XLogP2.66
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500302.37
LogP ≤ 52.66
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[2-[2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547874
1-[2-(2-benzyl-1,3-dioxan-2-yl)ethyl]imidazole
CID 20547993
1-[2-[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547884
1-[2-[2-[(4-butoxyphenyl)methyl]-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20548022
1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20548074
1-[2-[2-[(4-bromophenyl)methyl]-5,5-diethyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547488
1-[2-[2-[(3-methylphenyl)methyl]-1,3-dioxolan-2-yl]ethyl]imidazole
CID 20547788
1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547705
1-[2-[2-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-dioxolan-2-yl]ethyl]imidazole
CID 20547546
1-[2-(4-methoxyphenoxy)ethyl]imidazole
CID 868397
1-[[2-[2-(4-methoxyphenyl)ethyl]-5,5-di(propan-2-yl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547920
1-[[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]methyl]imidazole
CID 20547944

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole?
The IUPAC name of 1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole (CID 20547846) is 1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole.
What is the SMILES notation for 1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole?
The canonical SMILES for 1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole is COc1ccc(CC2(CCn3ccnc3)OCCCO2)cc1.
What is the InChIKey of 1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole?
The InChIKey is LLARMGYJAWSKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O3/c1-20-16-5-3-15(4-6-16)13-17(21-11-2-12-22-17)7-9-19-10-8-18-14-19/h3-6,8,10,14H,2,7,9,11-13H2,1H3.
What are the key properties of 1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole?
1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole has a molecular weight of 302.37 g/mol, XLogP of 2.66, 6 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole is sourced from PubChem (CID 20547846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).