2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromo-1H-imidazo[4,5-b]pyridine

C14H10BrN5S — CID 2044869

IUPAC2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromo-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(SCc3nc4ccccc4[nH]3)[nH]c2c1
InChIInChI=1S/C14H10BrN5S/c15-8-5-11-13(16-6-8)20-14(19-11)21-7-12-17-9-3-1-2-4-10(9)18-12/h1-6H,7H2,(H,17,18)(H,16,19,20)
InChIKeyXGJZZNARDKDONI-UHFFFAOYSA-N
MW360.24 g/mol
LogP3.89
Rot. Bonds3

About 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromo-1H-imidazo[4,5-b]pyridine

2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromo-1H-imidazo[4,5-b]pyridine (PubChem CID 2044869) has the molecular formula C14H10BrN5S and a molecular weight of 360.24 g/mol. Its IUPAC name is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromo-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromo-1H-imidazo[4,5-b]pyridine
PubChem CID2044869
Molecular FormulaC14H10BrN5S
Molecular Weight360.24 g/mol
Exact Mass358.98
IUPAC Name2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromo-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(SCc3nc4ccccc4[nH]3)[nH]c2c1
InChIInChI=1S/C14H10BrN5S/c15-8-5-11-13(16-6-8)20-14(19-11)21-7-12-17-9-3-1-2-4-10(9)18-12/h1-6H,7H2,(H,17,18)(H,16,19,20)
InChIKeyXGJZZNARDKDONI-UHFFFAOYSA-N
XLogP3.89
TPSA70.25 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500360.24
LogP ≤ 53.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

6-Bromo-4-azabenzimidazole
CID 911578
Timoprazole
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CID 3245059
2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromo-5-methyl-1H-imidazo[4,5-b]pyridine
CID 5626555
1H-Benzimidazol-2-ylmethyl 4-ethyl-5-(2-pyrazinyl)-4H-1,2,4-triazol-3-YL sulfide
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6-bromo-2-methyl-1H-imidazo(4,5-b)pyridine
CID 1958572
2-[(1H-benzimidazol-2-ylsulfanyl)methyl]-3-bromo-5,7-dimethylimidazo[1,2-a]pyrimidine
CID 1415219
1-[2-(1H-benzimidazol-2-yl)ethyl]-3-(5-bromo-2-pyridyl)thiourea
CID 3001143
2-[(4-Fluorophenyl)methylthio]imidazo[5,4-b]pyridine
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6-bromo-2-[(4-nitrophenyl)methylsulfanyl]-1H-imidazo[4,5-b]pyridine
CID 1423600
2-(4-Methyl-benzylsulfanyl)-3H-imidazo[4,5-b]pyridine
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2-(3-Fluoro-benzylsulfanyl)-3H-imidazo[4,5-b]pyridine
CID 573334

Frequently Asked Questions

What is the IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromo-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromo-1H-imidazo[4,5-b]pyridine (CID 2044869) is 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromo-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromo-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromo-1H-imidazo[4,5-b]pyridine is Brc1cnc2nc(SCc3nc4ccccc4[nH]3)[nH]c2c1.
What is the InChIKey of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromo-1H-imidazo[4,5-b]pyridine?
The InChIKey is XGJZZNARDKDONI-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H10BrN5S/c15-8-5-11-13(16-6-8)20-14(19-11)21-7-12-17-9-3-1-2-4-10(9)18-12/h1-6H,7H2,(H,17,18)(H,16,19,20).
What are the key properties of 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromo-1H-imidazo[4,5-b]pyridine?
2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromo-1H-imidazo[4,5-b]pyridine has a molecular weight of 360.24 g/mol, XLogP of 3.89, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(1H-benzimidazol-2-ylmethylsulfanyl)-6-bromo-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 2044869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).