5-[(4-bromophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine

C17H12BrN3S — CID 10361780

IUPAC5-[(4-bromophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine
SMILESBrc1ccc(Cn2ccc3nc(-c4cccs4)nc-3c2)cc1
InChIInChI=1S/C17H12BrN3S/c18-13-5-3-12(4-6-13)10-21-8-7-14-15(11-21)20-17(19-14)16-2-1-9-22-16/h1-9,11H,10H2
InChIKeyMJZIGSVUFVWPSA-UHFFFAOYSA-N
MW370.28 g/mol
LogP4.92
Rot. Bonds3

About 5-[(4-bromophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine

5-[(4-bromophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine (PubChem CID 10361780) has the molecular formula C17H12BrN3S and a molecular weight of 370.28 g/mol. Its IUPAC name is 5-[(4-bromophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine.

Molecular Properties

Compound Name5-[(4-bromophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine
PubChem CID10361780
Molecular FormulaC17H12BrN3S
Molecular Weight370.28 g/mol
Exact Mass368.99
IUPAC Name5-[(4-bromophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine
SMILESBrc1ccc(Cn2ccc3nc(-c4cccs4)nc-3c2)cc1
InChIInChI=1S/C17H12BrN3S/c18-13-5-3-12(4-6-13)10-21-8-7-14-15(11-21)20-17(19-14)16-2-1-9-22-16/h1-9,11H,10H2
InChIKeyMJZIGSVUFVWPSA-UHFFFAOYSA-N
XLogP4.92
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500370.28
LogP ≤ 54.92
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5-[(4-bromophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine?
The IUPAC name of 5-[(4-bromophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine (CID 10361780) is 5-[(4-bromophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine.
What is the SMILES notation for 5-[(4-bromophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine?
The canonical SMILES for 5-[(4-bromophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine is Brc1ccc(Cn2ccc3nc(-c4cccs4)nc-3c2)cc1.
What is the InChIKey of 5-[(4-bromophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine?
The InChIKey is MJZIGSVUFVWPSA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H12BrN3S/c18-13-5-3-12(4-6-13)10-21-8-7-14-15(11-21)20-17(19-14)16-2-1-9-22-16/h1-9,11H,10H2.
What are the key properties of 5-[(4-bromophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine?
5-[(4-bromophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine has a molecular weight of 370.28 g/mol, XLogP of 4.92, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(4-bromophenyl)methyl]-2-thiophen-2-ylimidazo[4,5-c]pyridine is sourced from PubChem (CID 10361780), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).