1-bromo-3-methoxybenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone

C31H26BrFN2O4 — CID 67430373

IUPAC1-bromo-3-methoxybenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone
SMILESCOc1cccc(Br)c1.COc1ccccc1C(=O)c1cn(-c2cccc(-c3cccc(F)c3OC)c2)cn1
InChIInChI=1S/C24H19FN2O3.C7H7BrO/c1-29-22-12-4-3-9-19(22)23(28)21-14-27(15-26-21)17-8-5-7-16(13-17)18-10-6-11-20(25)24(18)30-2;1-9-7-4-2-3-6(8)5-7/h3-15H,1-2H3;2-5H,1H3
InChIKeyHGCJVJCVNAKSRA-UHFFFAOYSA-N
MW589.46 g/mol
LogP7.38
Rot. Bonds7

About 1-bromo-3-methoxybenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone

1-bromo-3-methoxybenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone (PubChem CID 67430373) has the molecular formula C31H26BrFN2O4 and a molecular weight of 589.46 g/mol. Its IUPAC name is 1-bromo-3-methoxybenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone.

Molecular Properties

Compound Name1-bromo-3-methoxybenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone
PubChem CID67430373
Molecular FormulaC31H26BrFN2O4
Molecular Weight589.46 g/mol
Exact Mass588.11
IUPAC Name1-bromo-3-methoxybenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone
SMILESCOc1cccc(Br)c1.COc1ccccc1C(=O)c1cn(-c2cccc(-c3cccc(F)c3OC)c2)cn1
InChIInChI=1S/C24H19FN2O3.C7H7BrO/c1-29-22-12-4-3-9-19(22)23(28)21-14-27(15-26-21)17-8-5-7-16(13-17)18-10-6-11-20(25)24(18)30-2;1-9-7-4-2-3-6(8)5-7/h3-15H,1-2H3;2-5H,1H3
InChIKeyHGCJVJCVNAKSRA-UHFFFAOYSA-N
XLogP7.38
TPSA62.58 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms39
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500589.46
LogP ≤ 57.38
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

1-bromo-4-fluorobenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(3-fluorophenyl)methanone
CID 67429012
(2-methoxyphenyl)-[1-[3-[2-(trifluoromethoxy)phenyl]phenyl]imidazol-4-yl]methanone
CID 67429654
2-[3-[4-(3-methoxybenzoyl)imidazol-1-yl]phenyl]benzonitrile
CID 67430776
[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone
CID 67430473
2-bromopyrimidine;[1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(4-fluorophenyl)methanone
CID 87396393
furan-2-yl-[1-[3-(2-methoxyphenyl)phenyl]imidazol-4-yl]methanone
CID 67430389
[1-[3-(2-fluoro-6-methoxyphenyl)phenyl]imidazol-4-yl]-(1,3-thiazol-2-yl)methanone
CID 16679206
[1-[3-(2,4-dimethoxypyrimidin-5-yl)phenyl]imidazol-4-yl]-(3-methoxyphenyl)methanone
CID 67428511
[1-(3-methoxyphenyl)-4-phenylpyrrol-3-yl]-(3,4,5-trimethoxyphenyl)methanone
CID 155522430
[1-(ethoxymethyl)imidazol-2-yl]-[1-[3-(5-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]methanone
CID 67430316
2-(3-bromophenoxy)ethyl 2-methoxybenzoate
CID 55318537
(2-fluoro-4-methoxyphenyl)-(2-methoxyphenyl)methanone
CID 43561172

Frequently Asked Questions

What is the IUPAC name of 1-bromo-3-methoxybenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone?
The IUPAC name of 1-bromo-3-methoxybenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone (CID 67430373) is 1-bromo-3-methoxybenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone.
What is the SMILES notation for 1-bromo-3-methoxybenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone?
The canonical SMILES for 1-bromo-3-methoxybenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone is COc1cccc(Br)c1.COc1ccccc1C(=O)c1cn(-c2cccc(-c3cccc(F)c3OC)c2)cn1.
What is the InChIKey of 1-bromo-3-methoxybenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone?
The InChIKey is HGCJVJCVNAKSRA-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H19FN2O3.C7H7BrO/c1-29-22-12-4-3-9-19(22)23(28)21-14-27(15-26-21)17-8-5-7-16(13-17)18-10-6-11-20(25)24(18)30-2;1-9-7-4-2-3-6(8)5-7/h3-15H,1-2H3;2-5H,1H3.
What are the key properties of 1-bromo-3-methoxybenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone?
1-bromo-3-methoxybenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone has a molecular weight of 589.46 g/mol, XLogP of 7.38, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-bromo-3-methoxybenzene;[1-[3-(3-fluoro-2-methoxyphenyl)phenyl]imidazol-4-yl]-(2-methoxyphenyl)methanone is sourced from PubChem (CID 67430373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).