6-bromo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-imidazo[4,5-b]pyridine

C15H12BrN3S — CID 2048162

IUPAC6-bromo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(SC/C=C/c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H12BrN3S/c16-12-9-13-14(17-10-12)19-15(18-13)20-8-4-7-11-5-2-1-3-6-11/h1-7,9-10H,8H2,(H,17,18,19)/b7-4+
InChIKeyAEIVAAMPXAJSBF-QPJJXVBHSA-N
MW346.25 g/mol
LogP4.53
Rot. Bonds4

About 6-bromo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-imidazo[4,5-b]pyridine

6-bromo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-imidazo[4,5-b]pyridine (PubChem CID 2048162) has the molecular formula C15H12BrN3S and a molecular weight of 346.25 g/mol. Its IUPAC name is 6-bromo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-imidazo[4,5-b]pyridine
PubChem CID2048162
Molecular FormulaC15H12BrN3S
Molecular Weight346.25 g/mol
Exact Mass344.99
IUPAC Name6-bromo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-imidazo[4,5-b]pyridine
SMILESBrc1cnc2nc(SC/C=C/c3ccccc3)[nH]c2c1
InChIInChI=1S/C15H12BrN3S/c16-12-9-13-14(17-10-12)19-15(18-13)20-8-4-7-11-5-2-1-3-6-11/h1-7,9-10H,8H2,(H,17,18,19)/b7-4+
InChIKeyAEIVAAMPXAJSBF-QPJJXVBHSA-N
XLogP4.53
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500346.25
LogP ≤ 54.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-imidazo[4,5-b]pyridine (CID 2048162) is 6-bromo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-imidazo[4,5-b]pyridine is Brc1cnc2nc(SC/C=C/c3ccccc3)[nH]c2c1.
What is the InChIKey of 6-bromo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-imidazo[4,5-b]pyridine?
The InChIKey is AEIVAAMPXAJSBF-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H12BrN3S/c16-12-9-13-14(17-10-12)19-15(18-13)20-8-4-7-11-5-2-1-3-6-11/h1-7,9-10H,8H2,(H,17,18,19)/b7-4+.
What are the key properties of 6-bromo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-imidazo[4,5-b]pyridine?
6-bromo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-imidazo[4,5-b]pyridine has a molecular weight of 346.25 g/mol, XLogP of 4.53, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 2048162), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).