5-bromo-3-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine

C24H21BrN4 — CID 10321281

IUPAC5-bromo-3-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCC1(C)CN=C(c2ccc(-c3c(-c4ccccc4)[nH]c4ncc(Br)cc34)cc2)N1
InChIInChI=1S/C24H21BrN4/c1-24(2)14-27-22(29-24)17-10-8-15(9-11-17)20-19-12-18(25)13-26-23(19)28-21(20)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyFIPVZHBEMCZXJO-UHFFFAOYSA-N
MW445.36 g/mol
LogP5.79
Rot. Bonds3

About 5-bromo-3-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine

5-bromo-3-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine (PubChem CID 10321281) has the molecular formula C24H21BrN4 and a molecular weight of 445.36 g/mol. Its IUPAC name is 5-bromo-3-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine.

Molecular Properties

Compound Name5-bromo-3-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine
PubChem CID10321281
Molecular FormulaC24H21BrN4
Molecular Weight445.36 g/mol
Exact Mass444.09
IUPAC Name5-bromo-3-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine
SMILESCC1(C)CN=C(c2ccc(-c3c(-c4ccccc4)[nH]c4ncc(Br)cc34)cc2)N1
InChIInChI=1S/C24H21BrN4/c1-24(2)14-27-22(29-24)17-10-8-15(9-11-17)20-19-12-18(25)13-26-23(19)28-21(20)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,26,28)(H,27,29)
InChIKeyFIPVZHBEMCZXJO-UHFFFAOYSA-N
XLogP5.79
TPSA53.07 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500445.36
LogP ≤ 55.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-bromo-3-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine?
The IUPAC name of 5-bromo-3-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine (CID 10321281) is 5-bromo-3-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine.
What is the SMILES notation for 5-bromo-3-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine?
The canonical SMILES for 5-bromo-3-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine is CC1(C)CN=C(c2ccc(-c3c(-c4ccccc4)[nH]c4ncc(Br)cc34)cc2)N1.
What is the InChIKey of 5-bromo-3-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine?
The InChIKey is FIPVZHBEMCZXJO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21BrN4/c1-24(2)14-27-22(29-24)17-10-8-15(9-11-17)20-19-12-18(25)13-26-23(19)28-21(20)16-6-4-3-5-7-16/h3-13H,14H2,1-2H3,(H,26,28)(H,27,29).
What are the key properties of 5-bromo-3-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine?
5-bromo-3-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine has a molecular weight of 445.36 g/mol, XLogP of 5.79, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-3-[4-(5,5-dimethyl-1,4-dihydroimidazol-2-yl)phenyl]-2-phenyl-1H-pyrrolo[2,3-b]pyridine is sourced from PubChem (CID 10321281), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).