1-[1-[2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]phenyl]ethenyl]imidazole

C20H19BrN2O3 — CID 24633273

IUPAC1-[1-[2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]phenyl]ethenyl]imidazole
SMILESC=C(c1ccccc1OCc1cc(OC)c(OC)cc1Br)n1ccnc1
InChIInChI=1S/C20H19BrN2O3/c1-14(23-9-8-22-13-23)16-6-4-5-7-18(16)26-12-15-10-19(24-2)20(25-3)11-17(15)21/h4-11,13H,1,12H2,2-3H3
InChIKeyFTSJOYPUSAHYHO-UHFFFAOYSA-N
MW415.29 g/mol
LogP4.76
Rot. Bonds7

About 1-[1-[2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]phenyl]ethenyl]imidazole

1-[1-[2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]phenyl]ethenyl]imidazole (PubChem CID 24633273) has the molecular formula C20H19BrN2O3 and a molecular weight of 415.29 g/mol. Its IUPAC name is 1-[1-[2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]phenyl]ethenyl]imidazole.

Molecular Properties

Compound Name1-[1-[2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]phenyl]ethenyl]imidazole
PubChem CID24633273
Molecular FormulaC20H19BrN2O3
Molecular Weight415.29 g/mol
Exact Mass414.06
IUPAC Name1-[1-[2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]phenyl]ethenyl]imidazole
SMILESC=C(c1ccccc1OCc1cc(OC)c(OC)cc1Br)n1ccnc1
InChIInChI=1S/C20H19BrN2O3/c1-14(23-9-8-22-13-23)16-6-4-5-7-18(16)26-12-15-10-19(24-2)20(25-3)11-17(15)21/h4-11,13H,1,12H2,2-3H3
InChIKeyFTSJOYPUSAHYHO-UHFFFAOYSA-N
XLogP4.76
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500415.29
LogP ≤ 54.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

1-[1-(2-methoxyphenyl)ethenyl]imidazole
CID 3007441
1-[1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]ethenyl]imidazole
CID 3007459
2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]benzamide
CID 8939782
(Z)-1-[2-[(2,4-dichlorophenyl)methoxy]phenyl]-1-imidazol-1-yl-N-methoxymethanimine
CID 22904486
2-[2-(1-imidazol-1-ylethenyl)phenoxy]-N-phenylacetamide
CID 24592029
N-(4-chlorophenyl)-2-[2-(1-imidazol-1-ylethenyl)phenoxy]acetamide
CID 24592038
1-imidazol-1-yl-3-(2-methoxyphenyl)propan-1-one
CID 82115600
(2-methoxyphenyl)methyl imidazole-1-carboxylate
CID 170657703
1-[1-[2-[2-(2,4-dichloro-3H-thiophen-2-yl)ethoxy]phenyl]ethenyl]imidazole
CID 151987624
N-[(E)-[[2-[(4-ethylphenyl)methoxy]phenyl]-imidazol-1-ylmethylidene]amino]-N-methylmethanamine
CID 87389655
1-[(Z)-1-[2-[(3-chlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 6479458
1-[1-[2-[(4-chlorophenyl)methoxy]phenyl]prop-1-enyl]imidazole
CID 3007491

Frequently Asked Questions

What is the IUPAC name of 1-[1-[2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]phenyl]ethenyl]imidazole?
The IUPAC name of 1-[1-[2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]phenyl]ethenyl]imidazole (CID 24633273) is 1-[1-[2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]phenyl]ethenyl]imidazole.
What is the SMILES notation for 1-[1-[2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]phenyl]ethenyl]imidazole?
The canonical SMILES for 1-[1-[2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]phenyl]ethenyl]imidazole is C=C(c1ccccc1OCc1cc(OC)c(OC)cc1Br)n1ccnc1.
What is the InChIKey of 1-[1-[2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]phenyl]ethenyl]imidazole?
The InChIKey is FTSJOYPUSAHYHO-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19BrN2O3/c1-14(23-9-8-22-13-23)16-6-4-5-7-18(16)26-12-15-10-19(24-2)20(25-3)11-17(15)21/h4-11,13H,1,12H2,2-3H3.
What are the key properties of 1-[1-[2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]phenyl]ethenyl]imidazole?
1-[1-[2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]phenyl]ethenyl]imidazole has a molecular weight of 415.29 g/mol, XLogP of 4.76, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-[2-[(2-bromo-4,5-dimethoxyphenyl)methoxy]phenyl]ethenyl]imidazole is sourced from PubChem (CID 24633273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).