5-(4-bromophenyl)-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]-4-ethylimidazole

C24H29BrN2O2 — CID 155696656

IUPAC5-(4-bromophenyl)-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]-4-ethylimidazole
SMILESCCCCc1nc(CC)c(-c2ccc(Br)cc2)n1Cc1ccc(OC)cc1OC
InChIInChI=1S/C24H29BrN2O2/c1-5-7-8-23-26-21(6-2)24(17-9-12-19(25)13-10-17)27(23)16-18-11-14-20(28-3)15-22(18)29-4/h9-15H,5-8,16H2,1-4H3
InChIKeyMCUISTLHMXOBBK-UHFFFAOYSA-N
MW457.41 g/mol
LogP6.28
Rot. Bonds9

About 5-(4-bromophenyl)-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]-4-ethylimidazole

5-(4-bromophenyl)-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]-4-ethylimidazole (PubChem CID 155696656) has the molecular formula C24H29BrN2O2 and a molecular weight of 457.41 g/mol. Its IUPAC name is 5-(4-bromophenyl)-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]-4-ethylimidazole.

Molecular Properties

Compound Name5-(4-bromophenyl)-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]-4-ethylimidazole
PubChem CID155696656
Molecular FormulaC24H29BrN2O2
Molecular Weight457.41 g/mol
Exact Mass456.14
IUPAC Name5-(4-bromophenyl)-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]-4-ethylimidazole
SMILESCCCCc1nc(CC)c(-c2ccc(Br)cc2)n1Cc1ccc(OC)cc1OC
InChIInChI=1S/C24H29BrN2O2/c1-5-7-8-23-26-21(6-2)24(17-9-12-19(25)13-10-17)27(23)16-18-11-14-20(28-3)15-22(18)29-4/h9-15H,5-8,16H2,1-4H3
InChIKeyMCUISTLHMXOBBK-UHFFFAOYSA-N
XLogP6.28
TPSA36.28 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500457.41
LogP ≤ 56.28
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline
CID 155128406
1-decyl-2,4-dimethoxybenzene
CID 524862
2,4-dimethoxy-1-tetradecylbenzene
CID 54383579
1-[(4-bromophenyl)methyl]-4-[(2,4-dimethoxyphenyl)methyl]piperazine
CID 1222780
5-[2-butyl-4-(2,4-dimethoxyanilino)-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]pentanenitrile
CID 155128391
7-bromo-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinoline;7-bromo-4-N-[(2,4-dimethoxyphenyl)methyl]quinoline-3,4-diamine;2-ethoxy-2-methylhexane
CID 158158698
2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]-7-hexylimidazo[4,5-c]quinoline;5-[2-butyl-4-[2-(2,4-dimethoxyphenyl)ethyl]-1-[(2,4-dimethoxyphenyl)methyl]imidazo[4,5-c]quinolin-7-yl]pentanenitrile
CID 165017165
methyl 4-bromo-1-[(2,4-dimethoxyphenyl)methyl]-3-ethylpyrazole-5-carboxylate
CID 164898299
1-(4-bromophenyl)-2,4-dimethoxybenzene
CID 83666366
5-bromo-N-[(2,4-dimethoxyphenyl)methyl]-2-methoxyaniline
CID 61061133
1,2-dibutyl-4-methoxybenzene
CID 153315966
(6R)-6-(4-bromophenyl)-4-[(2,4-dimethoxyphenyl)methyl]morpholin-3-one
CID 67352581

Frequently Asked Questions

What is the IUPAC name of 5-(4-bromophenyl)-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]-4-ethylimidazole?
The IUPAC name of 5-(4-bromophenyl)-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]-4-ethylimidazole (CID 155696656) is 5-(4-bromophenyl)-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]-4-ethylimidazole.
What is the SMILES notation for 5-(4-bromophenyl)-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]-4-ethylimidazole?
The canonical SMILES for 5-(4-bromophenyl)-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]-4-ethylimidazole is CCCCc1nc(CC)c(-c2ccc(Br)cc2)n1Cc1ccc(OC)cc1OC.
What is the InChIKey of 5-(4-bromophenyl)-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]-4-ethylimidazole?
The InChIKey is MCUISTLHMXOBBK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29BrN2O2/c1-5-7-8-23-26-21(6-2)24(17-9-12-19(25)13-10-17)27(23)16-18-11-14-20(28-3)15-22(18)29-4/h9-15H,5-8,16H2,1-4H3.
What are the key properties of 5-(4-bromophenyl)-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]-4-ethylimidazole?
5-(4-bromophenyl)-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]-4-ethylimidazole has a molecular weight of 457.41 g/mol, XLogP of 6.28, 9 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-bromophenyl)-2-butyl-1-[(2,4-dimethoxyphenyl)methyl]-4-ethylimidazole is sourced from PubChem (CID 155696656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).