2-(3-bromo-2-pyridinyl)-6-chloro-1H-benzimidazole

C12H7BrClN3 — CID 107519603

IUPAC2-(3-bromo-2-pyridinyl)-6-chloro-1H-benzimidazole
SMILESClc1ccc2nc(-c3ncccc3Br)[nH]c2c1
InChIInChI=1S/C12H7BrClN3/c13-8-2-1-5-15-11(8)12-16-9-4-3-7(14)6-10(9)17-12/h1-6H,(H,16,17)
InChIKeyDIYYMMURSRGPME-UHFFFAOYSA-N
MW308.57 g/mol
LogP4.04
Rot. Bonds1

About 2-(3-bromo-2-pyridinyl)-6-chloro-1H-benzimidazole

2-(3-bromo-2-pyridinyl)-6-chloro-1H-benzimidazole (PubChem CID 107519603) has the molecular formula C12H7BrClN3 and a molecular weight of 308.57 g/mol. Its IUPAC name is 2-(3-bromo-2-pyridinyl)-6-chloro-1H-benzimidazole.

Molecular Properties

Compound Name2-(3-bromo-2-pyridinyl)-6-chloro-1H-benzimidazole
PubChem CID107519603
Molecular FormulaC12H7BrClN3
Molecular Weight308.57 g/mol
Exact Mass306.95
IUPAC Name2-(3-bromo-2-pyridinyl)-6-chloro-1H-benzimidazole
SMILESClc1ccc2nc(-c3ncccc3Br)[nH]c2c1
InChIInChI=1S/C12H7BrClN3/c13-8-2-1-5-15-11(8)12-16-9-4-3-7(14)6-10(9)17-12/h1-6H,(H,16,17)
InChIKeyDIYYMMURSRGPME-UHFFFAOYSA-N
XLogP4.04
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.57
LogP ≤ 54.04
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

5-bromo-2-(3-bromo-2-pyridinyl)-6-fluoro-1H-benzimidazole
CID 107519609
6-chloro-2-[2-(3-chloro-4-pyridinyl)-3-pyridinyl]-1H-benzimidazole
CID 58038261
2-(3-bromophenyl)-6-chloro-1H-benzimidazole
CID 60646428
2-bromo-4-(6-chloro-1H-benzimidazol-2-yl)phenol
CID 136837284
6-chloro-2-(3,5-dichlorophenyl)-1H-benzimidazole
CID 64722696
6-chloro-2-(2,4-dichlorophenyl)-1H-benzimidazole
CID 60646513
6-chloro-2-(furan-2-yl)-1H-benzimidazole
CID 5056728
2-(3-amino-2-pyridinyl)-3H-benzimidazol-5-ol
CID 137016825
3-(6-chloro-1H-benzimidazol-2-yl)quinoline
CID 141307841
6-chloro-2-[4-[2-[4-(6-chloro-1H-benzimidazol-2-yl)phenoxy]ethoxy]phenyl]-1H-benzimidazole
CID 25255675
[2-(3-methyl-2-pyridinyl)-3H-benzimidazol-5-yl]methanol
CID 66602187
2-(3-bromo-2-pyridinyl)-1H-benzimidazole-4-carboxylic acid
CID 107519628

Frequently Asked Questions

What is the IUPAC name of 2-(3-bromo-2-pyridinyl)-6-chloro-1H-benzimidazole?
The IUPAC name of 2-(3-bromo-2-pyridinyl)-6-chloro-1H-benzimidazole (CID 107519603) is 2-(3-bromo-2-pyridinyl)-6-chloro-1H-benzimidazole.
What is the SMILES notation for 2-(3-bromo-2-pyridinyl)-6-chloro-1H-benzimidazole?
The canonical SMILES for 2-(3-bromo-2-pyridinyl)-6-chloro-1H-benzimidazole is Clc1ccc2nc(-c3ncccc3Br)[nH]c2c1.
What is the InChIKey of 2-(3-bromo-2-pyridinyl)-6-chloro-1H-benzimidazole?
The InChIKey is DIYYMMURSRGPME-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H7BrClN3/c13-8-2-1-5-15-11(8)12-16-9-4-3-7(14)6-10(9)17-12/h1-6H,(H,16,17).
What are the key properties of 2-(3-bromo-2-pyridinyl)-6-chloro-1H-benzimidazole?
2-(3-bromo-2-pyridinyl)-6-chloro-1H-benzimidazole has a molecular weight of 308.57 g/mol, XLogP of 4.04, 1 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-bromo-2-pyridinyl)-6-chloro-1H-benzimidazole is sourced from PubChem (CID 107519603), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).