2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-6-methyl-1H-benzimidazole

C23H15BrClFN4 — CID 24957821

IUPAC2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccc(-c4nc(-c5c(F)cccc5Cl)[nH]c4Br)cc3)[nH]c2c1
InChIInChI=1S/C23H15BrClFN4/c1-12-5-10-17-18(11-12)28-22(27-17)14-8-6-13(7-9-14)20-21(24)30-23(29-20)19-15(25)3-2-4-16(19)26/h2-11H,1H3,(H,27,28)(H,29,30)
InChIKeyFGSCKWUCWGRANQ-UHFFFAOYSA-N
MW481.76 g/mol
LogP7.15
Rot. Bonds3

About 2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-6-methyl-1H-benzimidazole

2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-6-methyl-1H-benzimidazole (PubChem CID 24957821) has the molecular formula C23H15BrClFN4 and a molecular weight of 481.76 g/mol. Its IUPAC name is 2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-6-methyl-1H-benzimidazole.

Molecular Properties

Compound Name2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-6-methyl-1H-benzimidazole
PubChem CID24957821
Molecular FormulaC23H15BrClFN4
Molecular Weight481.76 g/mol
Exact Mass480.02
IUPAC Name2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-6-methyl-1H-benzimidazole
SMILESCc1ccc2nc(-c3ccc(-c4nc(-c5c(F)cccc5Cl)[nH]c4Br)cc3)[nH]c2c1
InChIInChI=1S/C23H15BrClFN4/c1-12-5-10-17-18(11-12)28-22(27-17)14-8-6-13(7-9-14)20-21(24)30-23(29-20)19-15(25)3-2-4-16(19)26/h2-11H,1H3,(H,27,28)(H,29,30)
InChIKeyFGSCKWUCWGRANQ-UHFFFAOYSA-N
XLogP7.15
TPSA57.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds3
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500481.76
LogP ≤ 57.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-6-methyl-1H-benzimidazole?
The IUPAC name of 2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-6-methyl-1H-benzimidazole (CID 24957821) is 2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-6-methyl-1H-benzimidazole.
What is the SMILES notation for 2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-6-methyl-1H-benzimidazole?
The canonical SMILES for 2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-6-methyl-1H-benzimidazole is Cc1ccc2nc(-c3ccc(-c4nc(-c5c(F)cccc5Cl)[nH]c4Br)cc3)[nH]c2c1.
What is the InChIKey of 2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-6-methyl-1H-benzimidazole?
The InChIKey is FGSCKWUCWGRANQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H15BrClFN4/c1-12-5-10-17-18(11-12)28-22(27-17)14-8-6-13(7-9-14)20-21(24)30-23(29-20)19-15(25)3-2-4-16(19)26/h2-11H,1H3,(H,27,28)(H,29,30).
What are the key properties of 2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-6-methyl-1H-benzimidazole?
2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-6-methyl-1H-benzimidazole has a molecular weight of 481.76 g/mol, XLogP of 7.15, 3 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[5-bromo-2-(2-chloro-6-fluorophenyl)-1H-imidazol-4-yl]phenyl]-6-methyl-1H-benzimidazole is sourced from PubChem (CID 24957821), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).