3-bromo-6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinoline

C18H9BrClF2N3 — CID 146662233

IUPAC3-bromo-6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinoline
SMILESFc1cc(F)c(-c2[nH]cnc2-c2ccc3ncc(Br)cc3c2)cc1Cl
InChIInChI=1S/C18H9BrClF2N3/c19-11-4-10-3-9(1-2-16(10)23-7-11)17-18(25-8-24-17)12-5-13(20)15(22)6-14(12)21/h1-8H,(H,24,25)
InChIKeyPWVJKFXLZNUOJW-UHFFFAOYSA-N
MW420.64 g/mol
LogP5.99
Rot. Bonds2

About 3-bromo-6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinoline

3-bromo-6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinoline (PubChem CID 146662233) has the molecular formula C18H9BrClF2N3 and a molecular weight of 420.64 g/mol. Its IUPAC name is 3-bromo-6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinoline.

Molecular Properties

Compound Name3-bromo-6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinoline
PubChem CID146662233
Molecular FormulaC18H9BrClF2N3
Molecular Weight420.64 g/mol
Exact Mass418.96
IUPAC Name3-bromo-6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinoline
SMILESFc1cc(F)c(-c2[nH]cnc2-c2ccc3ncc(Br)cc3c2)cc1Cl
InChIInChI=1S/C18H9BrClF2N3/c19-11-4-10-3-9(1-2-16(10)23-7-11)17-18(25-8-24-17)12-5-13(20)15(22)6-14(12)21/h1-8H,(H,24,25)
InChIKeyPWVJKFXLZNUOJW-UHFFFAOYSA-N
XLogP5.99
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500420.64
LogP ≤ 55.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 3-bromo-6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinoline?
The IUPAC name of 3-bromo-6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinoline (CID 146662233) is 3-bromo-6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinoline.
What is the SMILES notation for 3-bromo-6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinoline?
The canonical SMILES for 3-bromo-6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinoline is Fc1cc(F)c(-c2[nH]cnc2-c2ccc3ncc(Br)cc3c2)cc1Cl.
What is the InChIKey of 3-bromo-6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinoline?
The InChIKey is PWVJKFXLZNUOJW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H9BrClF2N3/c19-11-4-10-3-9(1-2-16(10)23-7-11)17-18(25-8-24-17)12-5-13(20)15(22)6-14(12)21/h1-8H,(H,24,25).
What are the key properties of 3-bromo-6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinoline?
3-bromo-6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinoline has a molecular weight of 420.64 g/mol, XLogP of 5.99, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 3-bromo-6-[5-(5-chloro-2,4-difluorophenyl)-1H-imidazol-4-yl]quinoline is sourced from PubChem (CID 146662233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).