2,4-diethoxy-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole

C20H32N2O2 — CID 177170342

IUPAC2,4-diethoxy-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole
SMILESCC(C)c1nccn1C.CCOc1ccc(C(C)C)c(OCC)c1
InChIInChI=1S/C13H20O2.C7H12N2/c1-5-14-11-7-8-12(10(3)4)13(9-11)15-6-2;1-6(2)7-8-4-5-9(7)3/h7-10H,5-6H2,1-4H3;4-6H,1-3H3
InChIKeyIWVYTIOWFRLMRB-UHFFFAOYSA-N
MW332.49 g/mol
LogP5.15
Rot. Bonds6

About 2,4-diethoxy-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole

2,4-diethoxy-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole (PubChem CID 177170342) has the molecular formula C20H32N2O2 and a molecular weight of 332.49 g/mol. Its IUPAC name is 2,4-diethoxy-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole.

Molecular Properties

Compound Name2,4-diethoxy-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole
PubChem CID177170342
Molecular FormulaC20H32N2O2
Molecular Weight332.49 g/mol
Exact Mass332.25
IUPAC Name2,4-diethoxy-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole
SMILESCC(C)c1nccn1C.CCOc1ccc(C(C)C)c(OCC)c1
InChIInChI=1S/C13H20O2.C7H12N2/c1-5-14-11-7-8-12(10(3)4)13(9-11)15-6-2;1-6(2)7-8-4-5-9(7)3/h7-10H,5-6H2,1-4H3;4-6H,1-3H3
InChIKeyIWVYTIOWFRLMRB-UHFFFAOYSA-N
XLogP5.15
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500332.49
LogP ≤ 55.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

4-ethoxy-2-methoxy-1-propan-2-ylbenzene
CID 176811601
1,4-diethoxy-2-propan-2-ylbenzene
CID 129196403
2,5-diethoxy-N-[2-(1-methylimidazol-2-yl)ethyl]aniline
CID 114527450
[(2,4-diethoxyphenyl)-phenylmethyl]azanium chloride
CID 121438268
2,4-diethoxy-1-propan-2-ylbenzene;2-(ethoxymethyl)-1-fluoro-4-propan-2-ylbenzene
CID 177172096
(1R)-N-[(4-methoxyphenyl)methyl]-1-(1-methylimidazol-2-yl)ethanamine
CID 95359172
(2,5-dimethoxyphenyl)-(1-methylimidazol-2-yl)methanol
CID 2891507
(1-methylimidazol-2-yl)-(4-propan-2-yloxyphenyl)methanol
CID 63974299
1-methyl-2-pentan-3-ylimidazole
CID 89261277
[(5-ethoxy-3-pyridinyl)-(1-methylimidazol-2-yl)methyl]hydrazine
CID 105258126
N-[(4-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(3-methyl-4-propan-2-ylphenoxy)acetamide
CID 24535483
N-[(3-methoxyphenyl)-(1-methylimidazol-2-yl)methyl]-2-(5-methyl-2-propan-2-ylphenoxy)acetamide
CID 17465533

Frequently Asked Questions

What is the IUPAC name of 2,4-diethoxy-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole?
The IUPAC name of 2,4-diethoxy-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole (CID 177170342) is 2,4-diethoxy-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole.
What is the SMILES notation for 2,4-diethoxy-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole?
The canonical SMILES for 2,4-diethoxy-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole is CC(C)c1nccn1C.CCOc1ccc(C(C)C)c(OCC)c1.
What is the InChIKey of 2,4-diethoxy-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole?
The InChIKey is IWVYTIOWFRLMRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20O2.C7H12N2/c1-5-14-11-7-8-12(10(3)4)13(9-11)15-6-2;1-6(2)7-8-4-5-9(7)3/h7-10H,5-6H2,1-4H3;4-6H,1-3H3.
What are the key properties of 2,4-diethoxy-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole?
2,4-diethoxy-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole has a molecular weight of 332.49 g/mol, XLogP of 5.15, 6 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diethoxy-1-propan-2-ylbenzene;1-methyl-2-propan-2-ylimidazole is sourced from PubChem (CID 177170342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).