1-[2-[2-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-dioxolan-2-yl]ethyl]imidazole

C20H28N2O2 — CID 20547546

IUPAC1-[2-[2-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-dioxolan-2-yl]ethyl]imidazole
SMILESCC1COC(CCn2ccnc2)(Cc2ccc(C(C)(C)C)cc2)O1
InChIInChI=1S/C20H28N2O2/c1-16-14-23-20(24-16,9-11-22-12-10-21-15-22)13-17-5-7-18(8-6-17)19(2,3)4/h5-8,10,12,15-16H,9,11,13-14H2,1-4H3
InChIKeyCOQGWMYSPQLEKG-UHFFFAOYSA-N
MW328.46 g/mol
LogP3.94
Rot. Bonds5

About 1-[2-[2-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-dioxolan-2-yl]ethyl]imidazole

1-[2-[2-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-dioxolan-2-yl]ethyl]imidazole (PubChem CID 20547546) has the molecular formula C20H28N2O2 and a molecular weight of 328.46 g/mol. Its IUPAC name is 1-[2-[2-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-dioxolan-2-yl]ethyl]imidazole.

Molecular Properties

Compound Name1-[2-[2-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-dioxolan-2-yl]ethyl]imidazole
PubChem CID20547546
Molecular FormulaC20H28N2O2
Molecular Weight328.46 g/mol
Exact Mass328.22
IUPAC Name1-[2-[2-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-dioxolan-2-yl]ethyl]imidazole
SMILESCC1COC(CCn2ccnc2)(Cc2ccc(C(C)(C)C)cc2)O1
InChIInChI=1S/C20H28N2O2/c1-16-14-23-20(24-16,9-11-22-12-10-21-15-22)13-17-5-7-18(8-6-17)19(2,3)4/h5-8,10,12,15-16H,9,11,13-14H2,1-4H3
InChIKeyCOQGWMYSPQLEKG-UHFFFAOYSA-N
XLogP3.94
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.46
LogP ≤ 53.94
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-[[(2R,4R)-4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole
CID 11962103
1-[2-[5,5-dimethyl-2-[(4-methylphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20548074
1-[[4-methyl-2-(2-phenylethyl)-1,3-dioxolan-2-yl]methyl]imidazole;hydrobromide
CID 20547996
1-[2-[2-[(4-methoxyphenyl)methyl]-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547846
1-[2-[2-[(4-tert-butylphenyl)methyl]-4-ethyl-1,3-dithian-2-yl]ethyl]imidazole
CID 20518821
1-[2-(2-benzyl-1,3-dioxan-2-yl)ethyl]imidazole
CID 20547993
1-[2-[2-[(4-bromophenyl)methyl]-5,5-diethyl-1,3-dioxan-2-yl]ethyl]imidazole
CID 20547488
1-[3-[4-methyl-2-(4-methylphenyl)-1,3-dioxolan-2-yl]propyl]imidazole
CID 20547721
1-[[4-[(4-tert-butylphenyl)sulfanylmethyl]-2-[2-(4-methylphenyl)ethyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20507891
1-[[2-[2-(4-tert-butylphenyl)ethyl]-4-[(4-chlorophenoxy)methyl]-1,3-dioxolan-2-yl]methyl]imidazole
CID 20508053
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-[2-[2-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-dioxolan-2-yl]ethyl]imidazole?
The IUPAC name of 1-[2-[2-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-dioxolan-2-yl]ethyl]imidazole (CID 20547546) is 1-[2-[2-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-dioxolan-2-yl]ethyl]imidazole.
What is the SMILES notation for 1-[2-[2-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-dioxolan-2-yl]ethyl]imidazole?
The canonical SMILES for 1-[2-[2-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-dioxolan-2-yl]ethyl]imidazole is CC1COC(CCn2ccnc2)(Cc2ccc(C(C)(C)C)cc2)O1.
What is the InChIKey of 1-[2-[2-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-dioxolan-2-yl]ethyl]imidazole?
The InChIKey is COQGWMYSPQLEKG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H28N2O2/c1-16-14-23-20(24-16,9-11-22-12-10-21-15-22)13-17-5-7-18(8-6-17)19(2,3)4/h5-8,10,12,15-16H,9,11,13-14H2,1-4H3.
What are the key properties of 1-[2-[2-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-dioxolan-2-yl]ethyl]imidazole?
1-[2-[2-[(4-tert-butylphenyl)methyl]-4-methyl-1,3-dioxolan-2-yl]ethyl]imidazole has a molecular weight of 328.46 g/mol, XLogP of 3.94, 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-tert-butylphenyl)methyl]-4-methyl-1,3-dioxolan-2-yl]ethyl]imidazole is sourced from PubChem (CID 20547546), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).