2-[2-[2-[5-bromo-2-(4-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole

C24H22BrClN2O — CID 59715230

IUPAC2-[2-[2-[5-bromo-2-(4-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(-c2ccc(Br)cc2CCc2c(Cl)cccc2C2=NCCN2)cc1
InChIInChI=1S/C24H22BrClN2O/c1-29-19-9-5-16(6-10-19)20-12-8-18(25)15-17(20)7-11-21-22(3-2-4-23(21)26)24-27-13-14-28-24/h2-6,8-10,12,15H,7,11,13-14H2,1H3,(H,27,28)
InChIKeyDWQWYANVAAKSSQ-UHFFFAOYSA-N
MW469.81 g/mol
LogP5.91
Rot. Bonds6

About 2-[2-[2-[5-bromo-2-(4-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole

2-[2-[2-[5-bromo-2-(4-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole (PubChem CID 59715230) has the molecular formula C24H22BrClN2O and a molecular weight of 469.81 g/mol. Its IUPAC name is 2-[2-[2-[5-bromo-2-(4-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole.

Molecular Properties

Compound Name2-[2-[2-[5-bromo-2-(4-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole
PubChem CID59715230
Molecular FormulaC24H22BrClN2O
Molecular Weight469.81 g/mol
Exact Mass468.06
IUPAC Name2-[2-[2-[5-bromo-2-(4-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole
SMILESCOc1ccc(-c2ccc(Br)cc2CCc2c(Cl)cccc2C2=NCCN2)cc1
InChIInChI=1S/C24H22BrClN2O/c1-29-19-9-5-16(6-10-19)20-12-8-18(25)15-17(20)7-11-21-22(3-2-4-23(21)26)24-27-13-14-28-24/h2-6,8-10,12,15H,7,11,13-14H2,1H3,(H,27,28)
InChIKeyDWQWYANVAAKSSQ-UHFFFAOYSA-N
XLogP5.91
TPSA33.62 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds6
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500469.81
LogP ≤ 55.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[2-[5-bromo-2-(4-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole?
The IUPAC name of 2-[2-[2-[5-bromo-2-(4-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole (CID 59715230) is 2-[2-[2-[5-bromo-2-(4-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole.
What is the SMILES notation for 2-[2-[2-[5-bromo-2-(4-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole?
The canonical SMILES for 2-[2-[2-[5-bromo-2-(4-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole is COc1ccc(-c2ccc(Br)cc2CCc2c(Cl)cccc2C2=NCCN2)cc1.
What is the InChIKey of 2-[2-[2-[5-bromo-2-(4-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole?
The InChIKey is DWQWYANVAAKSSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H22BrClN2O/c1-29-19-9-5-16(6-10-19)20-12-8-18(25)15-17(20)7-11-21-22(3-2-4-23(21)26)24-27-13-14-28-24/h2-6,8-10,12,15H,7,11,13-14H2,1H3,(H,27,28).
What are the key properties of 2-[2-[2-[5-bromo-2-(4-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole?
2-[2-[2-[5-bromo-2-(4-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole has a molecular weight of 469.81 g/mol, XLogP of 5.91, 6 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[2-[5-bromo-2-(4-methoxyphenyl)phenyl]ethyl]-3-chlorophenyl]-4,5-dihydro-1H-imidazole is sourced from PubChem (CID 59715230), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).