2-(4-bromophenyl)-7-[(E)-2-thiophen-2-ylethenyl]imidazo[1,2-a]pyridine

C19H13BrN2S — CID 122234083

IUPAC2-(4-bromophenyl)-7-[(E)-2-thiophen-2-ylethenyl]imidazo[1,2-a]pyridine
SMILESBrc1ccc(-c2cn3ccc(/C=C/c4cccs4)cc3n2)cc1
InChIInChI=1S/C19H13BrN2S/c20-16-6-4-15(5-7-16)18-13-22-10-9-14(12-19(22)21-18)3-8-17-2-1-11-23-17/h1-13H/b8-3+
InChIKeyODNFNBNFERHNSM-FPYGCLRLSA-N
MW381.30 g/mol
LogP6.00
Rot. Bonds3

About 2-(4-bromophenyl)-7-[(E)-2-thiophen-2-ylethenyl]imidazo[1,2-a]pyridine

2-(4-bromophenyl)-7-[(E)-2-thiophen-2-ylethenyl]imidazo[1,2-a]pyridine (PubChem CID 122234083) has the molecular formula C19H13BrN2S and a molecular weight of 381.30 g/mol. Its IUPAC name is 2-(4-bromophenyl)-7-[(E)-2-thiophen-2-ylethenyl]imidazo[1,2-a]pyridine.

Molecular Properties

Compound Name2-(4-bromophenyl)-7-[(E)-2-thiophen-2-ylethenyl]imidazo[1,2-a]pyridine
PubChem CID122234083
Molecular FormulaC19H13BrN2S
Molecular Weight381.30 g/mol
Exact Mass380.00
IUPAC Name2-(4-bromophenyl)-7-[(E)-2-thiophen-2-ylethenyl]imidazo[1,2-a]pyridine
SMILESBrc1ccc(-c2cn3ccc(/C=C/c4cccs4)cc3n2)cc1
InChIInChI=1S/C19H13BrN2S/c20-16-6-4-15(5-7-16)18-13-22-10-9-14(12-19(22)21-18)3-8-17-2-1-11-23-17/h1-13H/b8-3+
InChIKeyODNFNBNFERHNSM-FPYGCLRLSA-N
XLogP6.00
TPSA17.30 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.30
LogP ≤ 56.00
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(4-bromophenyl)-7-[(E)-2-thiophen-2-ylethenyl]imidazo[1,2-a]pyridine?
The IUPAC name of 2-(4-bromophenyl)-7-[(E)-2-thiophen-2-ylethenyl]imidazo[1,2-a]pyridine (CID 122234083) is 2-(4-bromophenyl)-7-[(E)-2-thiophen-2-ylethenyl]imidazo[1,2-a]pyridine.
What is the SMILES notation for 2-(4-bromophenyl)-7-[(E)-2-thiophen-2-ylethenyl]imidazo[1,2-a]pyridine?
The canonical SMILES for 2-(4-bromophenyl)-7-[(E)-2-thiophen-2-ylethenyl]imidazo[1,2-a]pyridine is Brc1ccc(-c2cn3ccc(/C=C/c4cccs4)cc3n2)cc1.
What is the InChIKey of 2-(4-bromophenyl)-7-[(E)-2-thiophen-2-ylethenyl]imidazo[1,2-a]pyridine?
The InChIKey is ODNFNBNFERHNSM-FPYGCLRLSA-N. The full InChI is InChI=1S/C19H13BrN2S/c20-16-6-4-15(5-7-16)18-13-22-10-9-14(12-19(22)21-18)3-8-17-2-1-11-23-17/h1-13H/b8-3+.
What are the key properties of 2-(4-bromophenyl)-7-[(E)-2-thiophen-2-ylethenyl]imidazo[1,2-a]pyridine?
2-(4-bromophenyl)-7-[(E)-2-thiophen-2-ylethenyl]imidazo[1,2-a]pyridine has a molecular weight of 381.30 g/mol, XLogP of 6.00, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-bromophenyl)-7-[(E)-2-thiophen-2-ylethenyl]imidazo[1,2-a]pyridine is sourced from PubChem (CID 122234083), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).