5-butyl-4-(3,4-dimethoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]imidazole

C24H30N2O3 — CID 50985943

IUPAC5-butyl-4-(3,4-dimethoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]imidazole
SMILESCCCCc1c(-c2ccc(OC)c(OC)c2)ncn1CCc1ccccc1OC
InChIInChI=1S/C24H30N2O3/c1-5-6-10-20-24(19-12-13-22(28-3)23(16-19)29-4)25-17-26(20)15-14-18-9-7-8-11-21(18)27-2/h7-9,11-13,16-17H,5-6,10,14-15H2,1-4H3
InChIKeyJEJHGXQYWSTRQI-UHFFFAOYSA-N
MW394.52 g/mol
LogP5.16
Rot. Bonds10

About 5-butyl-4-(3,4-dimethoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]imidazole

5-butyl-4-(3,4-dimethoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]imidazole (PubChem CID 50985943) has the molecular formula C24H30N2O3 and a molecular weight of 394.52 g/mol. Its IUPAC name is 5-butyl-4-(3,4-dimethoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]imidazole.

Molecular Properties

Compound Name5-butyl-4-(3,4-dimethoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]imidazole
PubChem CID50985943
Molecular FormulaC24H30N2O3
Molecular Weight394.52 g/mol
Exact Mass394.23
IUPAC Name5-butyl-4-(3,4-dimethoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]imidazole
SMILESCCCCc1c(-c2ccc(OC)c(OC)c2)ncn1CCc1ccccc1OC
InChIInChI=1S/C24H30N2O3/c1-5-6-10-20-24(19-12-13-22(28-3)23(16-19)29-4)25-17-26(20)15-14-18-9-7-8-11-21(18)27-2/h7-9,11-13,16-17H,5-6,10,14-15H2,1-4H3
InChIKeyJEJHGXQYWSTRQI-UHFFFAOYSA-N
XLogP5.16
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500394.52
LogP ≤ 55.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2-bromophenyl)-5-butyl-1-[2-(2-methoxyphenyl)ethyl]imidazole;2,2,2-trifluoroacetic acid
CID 53300715
4-(4-methoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]-5-(2-methylpropyl)imidazole
CID 51049955
5-(3,4-dimethoxyphenyl)-3-propylimidazol-4-amine
CID 62018479
5-butyl-1-[(2,3-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole
CID 51049901
3-butyl-5-(3-chloro-4-methoxyphenyl)imidazol-4-amine
CID 65022689
5-butyl-4-(2-methoxyphenyl)-1-[(2-methylphenyl)methyl]imidazole;2,2,2-trifluoroacetic acid
CID 56588110
5-butyl-1-[(4-chlorophenyl)methyl]-4-(2-methoxyphenyl)imidazole
CID 50985924
5-butyl-1-[2-(3-fluorophenyl)ethyl]-4-(2-methoxyphenyl)imidazole;2,2,2-trifluoroacetic acid
CID 53300726
5-butyl-1-[(3,4-difluorophenyl)methyl]-4-(2-methoxyphenyl)imidazole
CID 51049916
3-butyl-6-(3,4-dimethoxyphenyl)-[1,2,4]triazolo[3,4-b][1,3,4]thiadiazole
CID 25239858
1-methoxy-2-tetradecylbenzene
CID 69169530
4-(2-fluorophenyl)-1-[(2-methoxyphenyl)methyl]-5-propylimidazole
CID 51049834

Frequently Asked Questions

What is the IUPAC name of 5-butyl-4-(3,4-dimethoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]imidazole?
The IUPAC name of 5-butyl-4-(3,4-dimethoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]imidazole (CID 50985943) is 5-butyl-4-(3,4-dimethoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]imidazole.
What is the SMILES notation for 5-butyl-4-(3,4-dimethoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]imidazole?
The canonical SMILES for 5-butyl-4-(3,4-dimethoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]imidazole is CCCCc1c(-c2ccc(OC)c(OC)c2)ncn1CCc1ccccc1OC.
What is the InChIKey of 5-butyl-4-(3,4-dimethoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]imidazole?
The InChIKey is JEJHGXQYWSTRQI-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N2O3/c1-5-6-10-20-24(19-12-13-22(28-3)23(16-19)29-4)25-17-26(20)15-14-18-9-7-8-11-21(18)27-2/h7-9,11-13,16-17H,5-6,10,14-15H2,1-4H3.
What are the key properties of 5-butyl-4-(3,4-dimethoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]imidazole?
5-butyl-4-(3,4-dimethoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]imidazole has a molecular weight of 394.52 g/mol, XLogP of 5.16, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-butyl-4-(3,4-dimethoxyphenyl)-1-[2-(2-methoxyphenyl)ethyl]imidazole is sourced from PubChem (CID 50985943), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).