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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Related Compounds

2-(4-Bromophenyl)imidazo(1,2-a)pyridine-3-methanamine
CID 2757120
Imidazopyridine 10e
CID 5329344
Imidazopyridine 10f
CID 5329345
6-(thiophen-3-yl)-5H-pyrrolo[2,3-b]pyrazine
CID 6538803
Ikk-IN-3
CID 10215156
12-Methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823959
N,12-dimethyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823960
12-methyl-4-phenyl-N-[2-(piperidin-1-yl)ethyl]-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20823975
Dimethyl[2-({12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-yl}amino)ethyl]amine
CID 20823982
N-ethyl-12-methyl-4-phenyl-3-thia-1,7,10-triazatricyclo[7.3.0.0^{2,6}]dodeca-2(6),4,7,9,11-pentaen-8-amine
CID 20824060
6-Methyl-2-[5-(2-pyridinyl)-2-thienyl]imidazo[1,2-a]pyridine
CID 2813457
2-(5-Bromo-2-thienyl)imidazo[1,2-a]pyridine
CID 711734

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).