1-[[5,5-dimethyl-2-(6-methylnaphthalen-2-yl)-1,3-dioxan-2-yl]methyl]imidazole

C21H24N2O2 — CID 54232065

IUPAC1-[[5,5-dimethyl-2-(6-methylnaphthalen-2-yl)-1,3-dioxan-2-yl]methyl]imidazole
SMILESCc1ccc2cc(C3(Cn4ccnc4)OCC(C)(C)CO3)ccc2c1
InChIInChI=1S/C21H24N2O2/c1-16-4-5-18-11-19(7-6-17(18)10-16)21(12-23-9-8-22-15-23)24-13-20(2,3)14-25-21/h4-11,15H,12-14H2,1-3H3
InChIKeyQJZHWMLZLLRBTL-UHFFFAOYSA-N
MW336.44 g/mol
LogP4.27
Rot. Bonds3

About 1-[[5,5-dimethyl-2-(6-methylnaphthalen-2-yl)-1,3-dioxan-2-yl]methyl]imidazole

1-[[5,5-dimethyl-2-(6-methylnaphthalen-2-yl)-1,3-dioxan-2-yl]methyl]imidazole (PubChem CID 54232065) has the molecular formula C21H24N2O2 and a molecular weight of 336.44 g/mol. Its IUPAC name is 1-[[5,5-dimethyl-2-(6-methylnaphthalen-2-yl)-1,3-dioxan-2-yl]methyl]imidazole.

Molecular Properties

Compound Name1-[[5,5-dimethyl-2-(6-methylnaphthalen-2-yl)-1,3-dioxan-2-yl]methyl]imidazole
PubChem CID54232065
Molecular FormulaC21H24N2O2
Molecular Weight336.44 g/mol
Exact Mass336.18
IUPAC Name1-[[5,5-dimethyl-2-(6-methylnaphthalen-2-yl)-1,3-dioxan-2-yl]methyl]imidazole
SMILESCc1ccc2cc(C3(Cn4ccnc4)OCC(C)(C)CO3)ccc2c1
InChIInChI=1S/C21H24N2O2/c1-16-4-5-18-11-19(7-6-17(18)10-16)21(12-23-9-8-22-15-23)24-13-20(2,3)14-25-21/h4-11,15H,12-14H2,1-3H3
InChIKeyQJZHWMLZLLRBTL-UHFFFAOYSA-N
XLogP4.27
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.44
LogP ≤ 54.27
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

1-[2-[2-(4-methoxyphenyl)-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547705
1-[(4-methyl-2-naphthalen-2-yl-1,3-dioxan-2-yl)methyl]imidazole;hydrochloride
CID 12698934
1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20548074
1-[[5,5-dimethyl-2-(3-phenylpropyl)-1,3-dioxan-2-yl]methyl]imidazole
CID 20547857
1-[(4-ethyl-2,4-diphenyl-1,3-dioxolan-2-yl)methyl]imidazole
CID 54524191
1-[[2-[2-(2,4-dimethylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20547780
[2-(imidazol-1-ylmethyl)-2-(4-methoxyphenyl)-1,3-dioxolan-4-yl]methanol
CID 13480565
1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 20547721
1-[[2-(2,4-difluorophenyl)oxiran-2-yl]methyl]imidazole
CID 22285361
1-[[5,5-diethyl-2-[2-(3-methylphenyl)ethyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20548075
1-[[2-[2-(3-methylphenyl)ethyl]-1,3-dioxan-2-yl]methyl]imidazole
CID 20547713
1-[2-[2-[(4-butoxyphenyl)methyl]-5,5-dimethyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20548022

Frequently Asked Questions

What is the IUPAC name of 1-[[5,5-dimethyl-2-(6-methylnaphthalen-2-yl)-1,3-dioxan-2-yl]methyl]imidazole?
The IUPAC name of 1-[[5,5-dimethyl-2-(6-methylnaphthalen-2-yl)-1,3-dioxan-2-yl]methyl]imidazole (CID 54232065) is 1-[[5,5-dimethyl-2-(6-methylnaphthalen-2-yl)-1,3-dioxan-2-yl]methyl]imidazole.
What is the SMILES notation for 1-[[5,5-dimethyl-2-(6-methylnaphthalen-2-yl)-1,3-dioxan-2-yl]methyl]imidazole?
The canonical SMILES for 1-[[5,5-dimethyl-2-(6-methylnaphthalen-2-yl)-1,3-dioxan-2-yl]methyl]imidazole is Cc1ccc2cc(C3(Cn4ccnc4)OCC(C)(C)CO3)ccc2c1.
What is the InChIKey of 1-[[5,5-dimethyl-2-(6-methylnaphthalen-2-yl)-1,3-dioxan-2-yl]methyl]imidazole?
The InChIKey is QJZHWMLZLLRBTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H24N2O2/c1-16-4-5-18-11-19(7-6-17(18)10-16)21(12-23-9-8-22-15-23)24-13-20(2,3)14-25-21/h4-11,15H,12-14H2,1-3H3.
What are the key properties of 1-[[5,5-dimethyl-2-(6-methylnaphthalen-2-yl)-1,3-dioxan-2-yl]methyl]imidazole?
1-[[5,5-dimethyl-2-(6-methylnaphthalen-2-yl)-1,3-dioxan-2-yl]methyl]imidazole has a molecular weight of 336.44 g/mol, XLogP of 4.27, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[5,5-dimethyl-2-(6-methylnaphthalen-2-yl)-1,3-dioxan-2-yl]methyl]imidazole is sourced from PubChem (CID 54232065), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).