6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazo[4,5-b]pyridine

C15H12BrN3O — CID 12621816

IUPAC6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(/C=C/c2nc3ncc(Br)cc3[nH]2)cc1
InChIInChI=1S/C15H12BrN3O/c1-20-12-5-2-10(3-6-12)4-7-14-18-13-8-11(16)9-17-15(13)19-14/h2-9H,1H3,(H,17,18,19)/b7-4+
InChIKeyXOCQRIGFAKBLFW-QPJJXVBHSA-N
MW330.19 g/mol
LogP3.90
Rot. Bonds3

About 6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazo[4,5-b]pyridine

6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazo[4,5-b]pyridine (PubChem CID 12621816) has the molecular formula C15H12BrN3O and a molecular weight of 330.19 g/mol. Its IUPAC name is 6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazo[4,5-b]pyridine.

Molecular Properties

Compound Name6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazo[4,5-b]pyridine
PubChem CID12621816
Molecular FormulaC15H12BrN3O
Molecular Weight330.19 g/mol
Exact Mass329.02
IUPAC Name6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazo[4,5-b]pyridine
SMILESCOc1ccc(/C=C/c2nc3ncc(Br)cc3[nH]2)cc1
InChIInChI=1S/C15H12BrN3O/c1-20-12-5-2-10(3-6-12)4-7-14-18-13-8-11(16)9-17-15(13)19-14/h2-9H,1H3,(H,17,18,19)/b7-4+
InChIKeyXOCQRIGFAKBLFW-QPJJXVBHSA-N
XLogP3.90
TPSA50.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.19
LogP ≤ 53.90
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

5-[(E)-but-2-en-2-yl]-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazole
CID 143116039
1-methoxy-4-[2-[4-[2-[4-[2-(4-methoxyphenyl)ethenyl]phenyl]ethenyl]phenyl]ethenyl]benzene
CID 76573307
6-bromo-2-[(4-tert-butylphenoxy)methyl]-1H-imidazo[4,5-b]pyridine
CID 23857021
1-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)ethyl 3-(3,5-dimethoxyphenyl)prop-2-enoate
CID 72693206
6-bromo-2-[2-[4-(trifluoromethoxy)phenyl]ethenyl]-1H-benzimidazole
CID 67165368
6-bromo-2-[(E)-2-(4-methylphenyl)ethenyl]-1H-benzimidazole
CID 15422407
2-[4-(6-bromo-1H-imidazo[4,5-b]pyridin-2-yl)phenoxy]-N-[(4-methoxyphenyl)methyl]ethanamine
CID 10004038
6-bromo-2-[(E)-3-phenylprop-2-enyl]sulfanyl-1H-imidazo[4,5-b]pyridine
CID 2048162
6-bromo-2-[(E)-2-phenylethenyl]-1H-benzimidazole;ethane
CID 91356602
6-bromo-2-(3-methoxyphenyl)-1H-imidazo[4,5-b]pyridine;2,2,2-trifluoroacetic acid
CID 69377270
6-bromo-2-[2-(5-methoxy-2-pyridinyl)ethenyl]-1H-indole
CID 130276818
1,3-dimethoxy-5-[2-(4-methoxy(1,2,3,4,5,6-13C6)cyclohexa-1,3,5-trien-1-yl)ethenyl]benzene
CID 57369399

Frequently Asked Questions

What is the IUPAC name of 6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazo[4,5-b]pyridine?
The IUPAC name of 6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazo[4,5-b]pyridine (CID 12621816) is 6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazo[4,5-b]pyridine.
What is the SMILES notation for 6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazo[4,5-b]pyridine?
The canonical SMILES for 6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazo[4,5-b]pyridine is COc1ccc(/C=C/c2nc3ncc(Br)cc3[nH]2)cc1.
What is the InChIKey of 6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazo[4,5-b]pyridine?
The InChIKey is XOCQRIGFAKBLFW-QPJJXVBHSA-N. The full InChI is InChI=1S/C15H12BrN3O/c1-20-12-5-2-10(3-6-12)4-7-14-18-13-8-11(16)9-17-15(13)19-14/h2-9H,1H3,(H,17,18,19)/b7-4+.
What are the key properties of 6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazo[4,5-b]pyridine?
6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazo[4,5-b]pyridine has a molecular weight of 330.19 g/mol, XLogP of 3.90, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-2-[(E)-2-(4-methoxyphenyl)ethenyl]-1H-imidazo[4,5-b]pyridine is sourced from PubChem (CID 12621816), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).