1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole

C19H26N2O2 — CID 20548074

IUPAC1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
SMILESCc1ccc(CC2(CCn3ccnc3)OCC(C)(C)CO2)cc1
InChIInChI=1S/C19H26N2O2/c1-16-4-6-17(7-5-16)12-19(8-10-21-11-9-20-15-21)22-13-18(2,3)14-23-19/h4-7,9,11,15H,8,10,12-14H2,1-3H3
InChIKeyCWQJAHQPNOFOBS-UHFFFAOYSA-N
MW314.43 g/mol
LogP3.59
Rot. Bonds5

About 1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole

1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole (PubChem CID 20548074) has the molecular formula C19H26N2O2 and a molecular weight of 314.43 g/mol. Its IUPAC name is 1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
PubChem CID20548074
Molecular FormulaC19H26N2O2
Molecular Weight314.43 g/mol
Exact Mass314.20
IUPAC Name1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
SMILESCc1ccc(CC2(CCn3ccnc3)OCC(C)(C)CO2)cc1
InChIInChI=1S/C19H26N2O2/c1-16-4-6-17(7-5-16)12-19(8-10-21-11-9-20-15-21)22-13-18(2,3)14-23-19/h4-7,9,11,15H,8,10,12-14H2,1-3H3
InChIKeyCWQJAHQPNOFOBS-UHFFFAOYSA-N
XLogP3.59
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.43
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547874
1-[2-[2-[(4-butoxyphenyl)methyl]-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20548022
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)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547846
1-[2-(2-benzyl-1,3-dioxan-2-yl)ethyl]imidazole
CID 20547993
1-[2-[2-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-dioxolan-2-yl]ethyl]imidazole
CID 20547546
1-[2-[2-[(3-methoxyphenyl)methyl]-5,5-dipropyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547884
1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547705
1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547857
1-[[5,5-dimethyl-2-(6-methylnaphthalen-2-yl)-1,3-dioxan-2-yl]methyl]imidazole
CID 54232065
1-[(4-methylphenyl)methyl]imidazole;molecular hydrogen
CID 167543192

Frequently Asked Questions

What is the IUPAC name of 1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole?
The IUPAC name of 1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole (CID 20548074) is 1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole.
What is the SMILES notation for 1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole?
The canonical SMILES for 1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole is Cc1ccc(CC2(CCn3ccnc3)OCC(C)(C)CO2)cc1.
What is the InChIKey of 1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole?
The InChIKey is CWQJAHQPNOFOBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N2O2/c1-16-4-6-17(7-5-16)12-19(8-10-21-11-9-20-15-21)22-13-18(2,3)14-23-19/h4-7,9,11,15H,8,10,12-14H2,1-3H3.
What are the key properties of 1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole?
1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole has a molecular weight of 314.43 g/mol, XLogP of 3.59, 5 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole is sourced from PubChem (CID 20548074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).