3,4-diethyl-1-[(4-methylphenyl)methyl]imidazol-2-one;2,2-dimethylpropanoic acid;ethane;1-ethyl-4-methylbenzene;propane

C36H62N2O3 — CID 142249810

IUPAC3,4-diethyl-1-[(4-methylphenyl)methyl]imidazol-2-one;2,2-dimethylpropanoic acid;ethane;1-ethyl-4-methylbenzene;propane
SMILESCC.CC.CC(C)(C)C(=O)O.CCC.CCc1ccc(C)cc1.CCc1cn(Cc2ccc(C)cc2)c(=O)n1CC
InChIInChI=1S/C15H20N2O.C9H12.C5H10O2.C3H8.2C2H6/c1-4-14-11-16(15(18)17(14)5-2)10-13-8-6-12(3)7-9-13;1-3-9-6-4-8(2)5-7-9;1-5(2,3)4(6)7;1-3-2;2*1-2/h6-9,11H,4-5,10H2,1-3H3;4-7H,3H2,1-2H3;1-3H3,(H,6,7);3H2,1-2H3;2*1-2H3
InChIKeyUCGPVVPWXICPEH-UHFFFAOYSA-N
MW570.90 g/mol
LogP9.73
Rot. Bonds5

About 3,4-diethyl-1-[(4-methylphenyl)methyl]imidazol-2-one;2,2-dimethylpropanoic acid;ethane;1-ethyl-4-methylbenzene;propane

3,4-diethyl-1-[(4-methylphenyl)methyl]imidazol-2-one;2,2-dimethylpropanoic acid;ethane;1-ethyl-4-methylbenzene;propane (PubChem CID 142249810) has the molecular formula C36H62N2O3 and a molecular weight of 570.90 g/mol. Its IUPAC name is 3,4-diethyl-1-[(4-methylphenyl)methyl]imidazol-2-one;2,2-dimethylpropanoic acid;ethane;1-ethyl-4-methylbenzene;propane.

Molecular Properties

Compound Name3,4-diethyl-1-[(4-methylphenyl)methyl]imidazol-2-one;2,2-dimethylpropanoic acid;ethane;1-ethyl-4-methylbenzene;propane
PubChem CID142249810
Molecular FormulaC36H62N2O3
Molecular Weight570.90 g/mol
Exact Mass570.48
IUPAC Name3,4-diethyl-1-[(4-methylphenyl)methyl]imidazol-2-one;2,2-dimethylpropanoic acid;ethane;1-ethyl-4-methylbenzene;propane
SMILESCC.CC.CC(C)(C)C(=O)O.CCC.CCc1ccc(C)cc1.CCc1cn(Cc2ccc(C)cc2)c(=O)n1CC
InChIInChI=1S/C15H20N2O.C9H12.C5H10O2.C3H8.2C2H6/c1-4-14-11-16(15(18)17(14)5-2)10-13-8-6-12(3)7-9-13;1-3-9-6-4-8(2)5-7-9;1-5(2,3)4(6)7;1-3-2;2*1-2/h6-9,11H,4-5,10H2,1-3H3;4-7H,3H2,1-2H3;1-3H3,(H,6,7);3H2,1-2H3;2*1-2H3
InChIKeyUCGPVVPWXICPEH-UHFFFAOYSA-N
XLogP9.73
TPSA64.23 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms41
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500570.90
LogP ≤ 59.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[(3,4-difluorophenyl)methyl]-4-ethyl-3-propylimidazol-2-one;4-methylphenol
CID 142249785
1-[(4-bromophenyl)methyl]-3-ethyl-4-hydroxyimidazol-2-one
CID 91480560
4-[4-[4-(3-hydroxy-2-methylbut-3-en-2-yl)oxyphenyl]butyl]-1-[(4-methylphenyl)methyl]-3-propylimidazol-2-one
CID 89293679
1-ethyl-4-methylbenzene;propane
CID 144580802
4-ethyl-5-methyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-one
CID 71011648
4,5-diethyl-2-[(4-methylphenyl)methyl]-1,2,4-triazol-3-one
CID 143015933
ethylbenzene;1-ethyl-4-methylbenzene;propane
CID 160625021
ethane;2-[(4-ethylphenyl)methyl]-3,3-dimethylbutanoic acid
CID 171834500
ethane;1-ethyl-4-methylbenzene;fluoromethane
CID 142146910
1-(4-ethylphenyl)-3-(4-methylphenyl)propan-2-one
CID 55061865
bis(1-ethyl-4-methylbenzene);hydrate
CID 175281588
2-[5-ethyl-1-[(4-methylphenyl)methyl]imidazol-2-yl]sulfanylacetic acid
CID 81337462

Frequently Asked Questions

What is the IUPAC name of 3,4-diethyl-1-[(4-methylphenyl)methyl]imidazol-2-one;2,2-dimethylpropanoic acid;ethane;1-ethyl-4-methylbenzene;propane?
The IUPAC name of 3,4-diethyl-1-[(4-methylphenyl)methyl]imidazol-2-one;2,2-dimethylpropanoic acid;ethane;1-ethyl-4-methylbenzene;propane (CID 142249810) is 3,4-diethyl-1-[(4-methylphenyl)methyl]imidazol-2-one;2,2-dimethylpropanoic acid;ethane;1-ethyl-4-methylbenzene;propane.
What is the SMILES notation for 3,4-diethyl-1-[(4-methylphenyl)methyl]imidazol-2-one;2,2-dimethylpropanoic acid;ethane;1-ethyl-4-methylbenzene;propane?
The canonical SMILES for 3,4-diethyl-1-[(4-methylphenyl)methyl]imidazol-2-one;2,2-dimethylpropanoic acid;ethane;1-ethyl-4-methylbenzene;propane is CC.CC.CC(C)(C)C(=O)O.CCC.CCc1ccc(C)cc1.CCc1cn(Cc2ccc(C)cc2)c(=O)n1CC.
What is the InChIKey of 3,4-diethyl-1-[(4-methylphenyl)methyl]imidazol-2-one;2,2-dimethylpropanoic acid;ethane;1-ethyl-4-methylbenzene;propane?
The InChIKey is UCGPVVPWXICPEH-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N2O.C9H12.C5H10O2.C3H8.2C2H6/c1-4-14-11-16(15(18)17(14)5-2)10-13-8-6-12(3)7-9-13;1-3-9-6-4-8(2)5-7-9;1-5(2,3)4(6)7;1-3-2;2*1-2/h6-9,11H,4-5,10H2,1-3H3;4-7H,3H2,1-2H3;1-3H3,(H,6,7);3H2,1-2H3;2*1-2H3.
What are the key properties of 3,4-diethyl-1-[(4-methylphenyl)methyl]imidazol-2-one;2,2-dimethylpropanoic acid;ethane;1-ethyl-4-methylbenzene;propane?
3,4-diethyl-1-[(4-methylphenyl)methyl]imidazol-2-one;2,2-dimethylpropanoic acid;ethane;1-ethyl-4-methylbenzene;propane has a molecular weight of 570.90 g/mol, XLogP of 9.73, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diethyl-1-[(4-methylphenyl)methyl]imidazol-2-one;2,2-dimethylpropanoic acid;ethane;1-ethyl-4-methylbenzene;propane is sourced from PubChem (CID 142249810), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).