N-benzyl-6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine

C18H14BrN3S — CID 3973060

IUPACN-benzyl-6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESBrc1ccc2nc(-c3cccs3)c(NCc3ccccc3)n2c1
InChIInChI=1S/C18H14BrN3S/c19-14-8-9-16-21-17(15-7-4-10-23-15)18(22(16)12-14)20-11-13-5-2-1-3-6-13/h1-10,12,20H,11H2
InChIKeyVHWUNHQCAHKWSQ-UHFFFAOYSA-N
MW384.30 g/mol
LogP5.44
Rot. Bonds4

About N-benzyl-6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine

N-benzyl-6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 3973060) has the molecular formula C18H14BrN3S and a molecular weight of 384.30 g/mol. Its IUPAC name is N-benzyl-6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-benzyl-6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID3973060
Molecular FormulaC18H14BrN3S
Molecular Weight384.30 g/mol
Exact Mass383.01
IUPAC NameN-benzyl-6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESBrc1ccc2nc(-c3cccs3)c(NCc3ccccc3)n2c1
InChIInChI=1S/C18H14BrN3S/c19-14-8-9-16-21-17(15-7-4-10-23-15)18(22(16)12-14)20-11-13-5-2-1-3-6-13/h1-10,12,20H,11H2
InChIKeyVHWUNHQCAHKWSQ-UHFFFAOYSA-N
XLogP5.44
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500384.30
LogP ≤ 55.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-benzyl-6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-benzyl-6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine (CID 3973060) is N-benzyl-6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-benzyl-6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-benzyl-6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine is Brc1ccc2nc(-c3cccs3)c(NCc3ccccc3)n2c1.
What is the InChIKey of N-benzyl-6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is VHWUNHQCAHKWSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14BrN3S/c19-14-8-9-16-21-17(15-7-4-10-23-15)18(22(16)12-14)20-11-13-5-2-1-3-6-13/h1-10,12,20H,11H2.
What are the key properties of N-benzyl-6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine?
N-benzyl-6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 384.30 g/mol, XLogP of 5.44, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-benzyl-6-bromo-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 3973060), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).