1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole

C17H13BrCl2N2 — CID 69094460

IUPAC1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole
SMILESCCc1cnc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C17H13BrCl2N2/c1-2-13-10-21-17(15-8-5-12(19)9-16(15)20)22(13)14-6-3-11(18)4-7-14/h3-10H,2H2,1H3
InChIKeyVERHEWPVVHWATQ-UHFFFAOYSA-N
MW396.12 g/mol
LogP6.17
Rot. Bonds3

About 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole

1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole (PubChem CID 69094460) has the molecular formula C17H13BrCl2N2 and a molecular weight of 396.12 g/mol. Its IUPAC name is 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole.

Molecular Properties

Compound Name1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole
PubChem CID69094460
Molecular FormulaC17H13BrCl2N2
Molecular Weight396.12 g/mol
Exact Mass393.96
IUPAC Name1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole
SMILESCCc1cnc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1
InChIInChI=1S/C17H13BrCl2N2/c1-2-13-10-21-17(15-8-5-12(19)9-16(15)20)22(13)14-6-3-11(18)4-7-14/h3-10H,2H2,1H3
InChIKeyVERHEWPVVHWATQ-UHFFFAOYSA-N
XLogP6.17
TPSA17.82 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500396.12
LogP ≤ 56.17
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole?
The IUPAC name of 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole (CID 69094460) is 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole.
What is the SMILES notation for 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole?
The canonical SMILES for 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole is CCc1cnc(-c2ccc(Cl)cc2Cl)n1-c1ccc(Br)cc1.
What is the InChIKey of 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole?
The InChIKey is VERHEWPVVHWATQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H13BrCl2N2/c1-2-13-10-21-17(15-8-5-12(19)9-16(15)20)22(13)14-6-3-11(18)4-7-14/h3-10H,2H2,1H3.
What are the key properties of 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole?
1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole has a molecular weight of 396.12 g/mol, XLogP of 6.17, 3 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-bromophenyl)-2-(2,4-dichlorophenyl)-5-ethylimidazole is sourced from PubChem (CID 69094460), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).