1-(4-bromophenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-2-(2-phenylmethoxyphenyl)imidazole

C36H29BrN2O3 — CID 155184214

IUPAC1-(4-bromophenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-2-(2-phenylmethoxyphenyl)imidazole
SMILESCOc1ccc(-c2cn(-c3ccc(Br)cc3)c(-c3ccccc3OCc3ccccc3)n2)c(OCc2ccccc2)c1
InChIInChI=1S/C36H29BrN2O3/c1-40-30-20-21-31(35(22-30)42-25-27-12-6-3-7-13-27)33-23-39(29-18-16-28(37)17-19-29)36(38-33)32-14-8-9-15-34(32)41-24-26-10-4-2-5-11-26/h2-23H,24-25H2,1H3
InChIKeyHMVDBDAOTUDBRO-UHFFFAOYSA-N
MW617.54 g/mol
LogP9.14
Rot. Bonds10

About 1-(4-bromophenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-2-(2-phenylmethoxyphenyl)imidazole

1-(4-bromophenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-2-(2-phenylmethoxyphenyl)imidazole (PubChem CID 155184214) has the molecular formula C36H29BrN2O3 and a molecular weight of 617.54 g/mol. Its IUPAC name is 1-(4-bromophenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-2-(2-phenylmethoxyphenyl)imidazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-2-(2-phenylmethoxyphenyl)imidazole
PubChem CID155184214
Molecular FormulaC36H29BrN2O3
Molecular Weight617.54 g/mol
Exact Mass616.14
IUPAC Name1-(4-bromophenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-2-(2-phenylmethoxyphenyl)imidazole
SMILESCOc1ccc(-c2cn(-c3ccc(Br)cc3)c(-c3ccccc3OCc3ccccc3)n2)c(OCc2ccccc2)c1
InChIInChI=1S/C36H29BrN2O3/c1-40-30-20-21-31(35(22-30)42-25-27-12-6-3-7-13-27)33-23-39(29-18-16-28(37)17-19-29)36(38-33)32-14-8-9-15-34(32)41-24-26-10-4-2-5-11-26/h2-23H,24-25H2,1H3
InChIKeyHMVDBDAOTUDBRO-UHFFFAOYSA-N
XLogP9.14
TPSA45.51 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds10
Heavy Atoms42
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500617.54
LogP ≤ 59.14
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,4-dimethoxyphenyl)-1,2-diphenylimidazole
CID 71614056
2-ethynyl-4-methoxy-1-(2-phenylmethoxyphenyl)benzene
CID 168720092
2-bromo-4-methoxy-1-(4-phenylmethoxyphenyl)benzene
CID 91451800
1-(2,4-dimethoxyphenyl)-4-ethynyl-2-phenylmethoxybenzene
CID 176508542
2-[2,4-bis(phenylmethoxy)phenyl]-6-methoxy-1-benzofuran
CID 141293707
2-(4-methoxyphenyl)-6-methyl-8-phenylmethoxyimidazo[1,2-a]pyridine
CID 71192052
2-(4-bromo-2-phenylmethoxyphenyl)-1-phenylbenzimidazole
CID 121392547
2,3-dibromo-3-(4-methoxyphenyl)-1-(4-methoxy-2-phenylmethoxyphenyl)propan-1-one
CID 102239440
azane;4-methoxy-2-methyl-1-phenylmethoxybenzene;hydrochloride
CID 174629169
4-(5-methyl-1H-pyrazol-4-yl)-6-(2-phenylmethoxyphenyl)pyridazin-3-amine
CID 170625032
3-(2-phenylmethoxyphenyl)pyridine-2,6-diamine
CID 139370202
1-(4-bromophenyl)-4-phenylmethoxypyridin-2-one
CID 59187025

Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-2-(2-phenylmethoxyphenyl)imidazole?
The IUPAC name of 1-(4-bromophenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-2-(2-phenylmethoxyphenyl)imidazole (CID 155184214) is 1-(4-bromophenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-2-(2-phenylmethoxyphenyl)imidazole.
What is the SMILES notation for 1-(4-bromophenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-2-(2-phenylmethoxyphenyl)imidazole?
The canonical SMILES for 1-(4-bromophenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-2-(2-phenylmethoxyphenyl)imidazole is COc1ccc(-c2cn(-c3ccc(Br)cc3)c(-c3ccccc3OCc3ccccc3)n2)c(OCc2ccccc2)c1.
What is the InChIKey of 1-(4-bromophenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-2-(2-phenylmethoxyphenyl)imidazole?
The InChIKey is HMVDBDAOTUDBRO-UHFFFAOYSA-N. The full InChI is InChI=1S/C36H29BrN2O3/c1-40-30-20-21-31(35(22-30)42-25-27-12-6-3-7-13-27)33-23-39(29-18-16-28(37)17-19-29)36(38-33)32-14-8-9-15-34(32)41-24-26-10-4-2-5-11-26/h2-23H,24-25H2,1H3.
What are the key properties of 1-(4-bromophenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-2-(2-phenylmethoxyphenyl)imidazole?
1-(4-bromophenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-2-(2-phenylmethoxyphenyl)imidazole has a molecular weight of 617.54 g/mol, XLogP of 9.14, 10 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-4-(4-methoxy-2-phenylmethoxyphenyl)-2-(2-phenylmethoxyphenyl)imidazole is sourced from PubChem (CID 155184214), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).