4,6-dibromo-2-(2-pyridin-3-yl-3-pyridinyl)-1H-benzimidazole

C17H10Br2N4 — CID 91530135

IUPAC4,6-dibromo-2-(2-pyridin-3-yl-3-pyridinyl)-1H-benzimidazole
SMILESBrc1cc(Br)c2nc(-c3cccnc3-c3cccnc3)[nH]c2c1
InChIInChI=1S/C17H10Br2N4/c18-11-7-13(19)16-14(8-11)22-17(23-16)12-4-2-6-21-15(12)10-3-1-5-20-9-10/h1-9H,(H,22,23)
InChIKeyIJYFWTFWVNJBPX-UHFFFAOYSA-N
MW430.10 g/mol
LogP5.21
Rot. Bonds2

About 4,6-dibromo-2-(2-pyridin-3-yl-3-pyridinyl)-1H-benzimidazole

4,6-dibromo-2-(2-pyridin-3-yl-3-pyridinyl)-1H-benzimidazole (PubChem CID 91530135) has the molecular formula C17H10Br2N4 and a molecular weight of 430.10 g/mol. Its IUPAC name is 4,6-dibromo-2-(2-pyridin-3-yl-3-pyridinyl)-1H-benzimidazole.

Molecular Properties

Compound Name4,6-dibromo-2-(2-pyridin-3-yl-3-pyridinyl)-1H-benzimidazole
PubChem CID91530135
Molecular FormulaC17H10Br2N4
Molecular Weight430.10 g/mol
Exact Mass427.93
IUPAC Name4,6-dibromo-2-(2-pyridin-3-yl-3-pyridinyl)-1H-benzimidazole
SMILESBrc1cc(Br)c2nc(-c3cccnc3-c3cccnc3)[nH]c2c1
InChIInChI=1S/C17H10Br2N4/c18-11-7-13(19)16-14(8-11)22-17(23-16)12-4-2-6-21-15(12)10-3-1-5-20-9-10/h1-9H,(H,22,23)
InChIKeyIJYFWTFWVNJBPX-UHFFFAOYSA-N
XLogP5.21
TPSA54.46 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500430.10
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

4,6-dibromo-2-(2-chlorophenyl)-1H-benzimidazole
CID 91686412
2,3-dipyridin-3-ylpyridine;platinum(2+);dibromide
CID 175132894
6-bromo-4-methyl-2-(3-methyl-2-pyridinyl)-1H-benzimidazole
CID 113428441
2,3-dipyridin-3-ylpyridine;methane
CID 174971096
2,3-dipyridin-3-ylpyridine;hydrobromide
CID 175062851
2,3-dipyridin-3-ylpyridine;ruthenium(3+);trichloride
CID 175008055
calcium;2,3-dipyridin-3-ylpyridine;hydride
CID 174847287
2,3-dipyridin-3-ylpyridine;ruthenium(3+);trichloride;hexahydrate
CID 175003948
3-phenyl-2-pyridin-3-ylpyridine
CID 140510629
7-bromo-2-pyridin-3-yl-3H-imidazo[4,5-c]quinoline
CID 57394265
4-bromo-2-[5-(3-chloro-2-pyridinyl)-2-pyridinyl]-6-methyl-1H-benzimidazole
CID 143269331
6-bromo-2-(2-chlorophenyl)-4-methyl-1H-benzimidazole
CID 104574445

Frequently Asked Questions

What is the IUPAC name of 4,6-dibromo-2-(2-pyridin-3-yl-3-pyridinyl)-1H-benzimidazole?
The IUPAC name of 4,6-dibromo-2-(2-pyridin-3-yl-3-pyridinyl)-1H-benzimidazole (CID 91530135) is 4,6-dibromo-2-(2-pyridin-3-yl-3-pyridinyl)-1H-benzimidazole.
What is the SMILES notation for 4,6-dibromo-2-(2-pyridin-3-yl-3-pyridinyl)-1H-benzimidazole?
The canonical SMILES for 4,6-dibromo-2-(2-pyridin-3-yl-3-pyridinyl)-1H-benzimidazole is Brc1cc(Br)c2nc(-c3cccnc3-c3cccnc3)[nH]c2c1.
What is the InChIKey of 4,6-dibromo-2-(2-pyridin-3-yl-3-pyridinyl)-1H-benzimidazole?
The InChIKey is IJYFWTFWVNJBPX-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H10Br2N4/c18-11-7-13(19)16-14(8-11)22-17(23-16)12-4-2-6-21-15(12)10-3-1-5-20-9-10/h1-9H,(H,22,23).
What are the key properties of 4,6-dibromo-2-(2-pyridin-3-yl-3-pyridinyl)-1H-benzimidazole?
4,6-dibromo-2-(2-pyridin-3-yl-3-pyridinyl)-1H-benzimidazole has a molecular weight of 430.10 g/mol, XLogP of 5.21, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4,6-dibromo-2-(2-pyridin-3-yl-3-pyridinyl)-1H-benzimidazole is sourced from PubChem (CID 91530135), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).