N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine

C18H14ClN3S — CID 167754279

IUPACN-[(3-chlorophenyl)methyl]-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESClc1cccc(CNc2c(-c3cccs3)nc3ccccn23)c1
InChIInChI=1S/C18H14ClN3S/c19-14-6-3-5-13(11-14)12-20-18-17(15-7-4-10-23-15)21-16-8-1-2-9-22(16)18/h1-11,20H,12H2
InChIKeyIWKPNOLBZAZZPQ-UHFFFAOYSA-N
MW339.85 g/mol
LogP5.33
Rot. Bonds4

About N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine

N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 167754279) has the molecular formula C18H14ClN3S and a molecular weight of 339.85 g/mol. Its IUPAC name is N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-[(3-chlorophenyl)methyl]-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID167754279
Molecular FormulaC18H14ClN3S
Molecular Weight339.85 g/mol
Exact Mass339.06
IUPAC NameN-[(3-chlorophenyl)methyl]-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine
SMILESClc1cccc(CNc2c(-c3cccs3)nc3ccccn23)c1
InChIInChI=1S/C18H14ClN3S/c19-14-6-3-5-13(11-14)12-20-18-17(15-7-4-10-23-15)21-16-8-1-2-9-22(16)18/h1-11,20H,12H2
InChIKeyIWKPNOLBZAZZPQ-UHFFFAOYSA-N
XLogP5.33
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.85
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine (CID 167754279) is N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine is Clc1cccc(CNc2c(-c3cccs3)nc3ccccn23)c1.
What is the InChIKey of N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is IWKPNOLBZAZZPQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3S/c19-14-6-3-5-13(11-14)12-20-18-17(15-7-4-10-23-15)21-16-8-1-2-9-22(16)18/h1-11,20H,12H2.
What are the key properties of N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine?
N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 339.85 g/mol, XLogP of 5.33, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(3-chlorophenyl)methyl]-2-thiophen-2-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 167754279), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).