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

C17H22N2O2 — CID 20547874

IUPAC1-[2-[2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
SMILESCc1ccc(CC2(CCn3ccnc3)OCCCO2)cc1
InChIInChI=1S/C17H22N2O2/c1-15-3-5-16(6-4-15)13-17(20-11-2-12-21-17)7-9-19-10-8-18-14-19/h3-6,8,10,14H,2,7,9,11-13H2,1H3
InChIKeyLUGSAPOYPBBTMS-UHFFFAOYSA-N
MW286.38 g/mol
LogP2.96
Rot. Bonds5

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

1-[2-[2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole (PubChem CID 20547874) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 1-[2-[2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
PubChem CID20547874
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name1-[2-[2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
SMILESCc1ccc(CC2(CCn3ccnc3)OCCCO2)cc1
InChIInChI=1S/C17H22N2O2/c1-15-3-5-16(6-4-15)13-17(20-11-2-12-21-17)7-9-19-10-8-18-14-19/h3-6,8,10,14H,2,7,9,11-13H2,1H3
InChIKeyLUGSAPOYPBBTMS-UHFFFAOYSA-N
XLogP2.96
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 52.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-(2-benzyl-1,3-dioxan-2-yl)ethyl]imidazole
CID 20547993
1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547846
1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20548074
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-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-dioxolan-2-yl]ethyl]imidazole
CID 20547546
1-[[2-[2-(3-methylphenyl)ethyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20547713
1-[2-[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547884
1-[(2-benzyl-1,3-dioxolan-2-yl)methyl]imidazole;hydrobromide
CID 20547508
1-[[4-tert-butyl-2-[2-(4-methylphenyl)ethyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20547577
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192

Frequently Asked Questions

What is the IUPAC name of 1-[2-[2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole?
The IUPAC name of 1-[2-[2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole (CID 20547874) is 1-[2-[2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole.
What is the SMILES notation for 1-[2-[2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole?
The canonical SMILES for 1-[2-[2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole is Cc1ccc(CC2(CCn3ccnc3)OCCCO2)cc1.
What is the InChIKey of 1-[2-[2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole?
The InChIKey is LUGSAPOYPBBTMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-15-3-5-16(6-4-15)13-17(20-11-2-12-21-17)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-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole?
1-[2-[2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole has a molecular weight of 286.38 g/mol, XLogP of 2.96, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole is sourced from PubChem (CID 20547874), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).