5-[5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]-1-methylindole

C23H15BrClFN4 — CID 70833733

IUPAC5-[5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]-1-methylindole
SMILESCn1ccc2cc(-c3ccc(-c4nc(-c5c(F)cccc5Cl)[nH]c4Br)cn3)ccc21
InChIInChI=1S/C23H15BrClFN4/c1-30-10-9-14-11-13(6-8-19(14)30)18-7-5-15(12-27-18)21-22(24)29-23(28-21)20-16(25)3-2-4-17(20)26/h2-12H,1H3,(H,28,29)
InChIKeyJZAUCCNHYCMHCX-UHFFFAOYSA-N
MW481.76 g/mol
LogP6.85
Rot. Bonds3

About 5-[5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]-1-methylindole

5-[5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]-1-methylindole (PubChem CID 70833733) has the molecular formula C23H15BrClFN4 and a molecular weight of 481.76 g/mol. Its IUPAC name is 5-[5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]-1-methylindole.

Molecular Properties

Compound Name5-[5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]-1-methylindole
PubChem CID70833733
Molecular FormulaC23H15BrClFN4
Molecular Weight481.76 g/mol
Exact Mass480.02
IUPAC Name5-[5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]-1-methylindole
SMILESCn1ccc2cc(-c3ccc(-c4nc(-c5c(F)cccc5Cl)[nH]c4Br)cn3)ccc21
InChIInChI=1S/C23H15BrClFN4/c1-30-10-9-14-11-13(6-8-19(14)30)18-7-5-15(12-27-18)21-22(24)29-23(28-21)20-16(25)3-2-4-17(20)26/h2-12H,1H3,(H,28,29)
InChIKeyJZAUCCNHYCMHCX-UHFFFAOYSA-N
XLogP6.85
TPSA46.50 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.76
LogP ≤ 56.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-[5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]-1-methylindole?
The IUPAC name of 5-[5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]-1-methylindole (CID 70833733) is 5-[5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]-1-methylindole.
What is the SMILES notation for 5-[5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]-1-methylindole?
The canonical SMILES for 5-[5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]-1-methylindole is Cn1ccc2cc(-c3ccc(-c4nc(-c5c(F)cccc5Cl)[nH]c4Br)cn3)ccc21.
What is the InChIKey of 5-[5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]-1-methylindole?
The InChIKey is JZAUCCNHYCMHCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrClFN4/c1-30-10-9-14-11-13(6-8-19(14)30)18-7-5-15(12-27-18)21-22(24)29-23(28-21)20-16(25)3-2-4-17(20)26/h2-12H,1H3,(H,28,29).
What are the key properties of 5-[5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]-1-methylindole?
5-[5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]-1-methylindole has a molecular weight of 481.76 g/mol, XLogP of 6.85, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[5-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]-2-pyridinyl]-1-methylindole is sourced from PubChem (CID 70833733), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).