N-(4-chlorophenyl)-6-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine

C18H14ClN3S — CID 5095320

IUPACN-(4-chlorophenyl)-6-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3ccsc3)c(Nc3ccc(Cl)cc3)n2c1
InChIInChI=1S/C18H14ClN3S/c1-12-2-7-16-21-17(13-8-9-23-11-13)18(22(16)10-12)20-15-5-3-14(19)4-6-15/h2-11,20H,1H3
InChIKeyOFVSJBUKVZZBCL-UHFFFAOYSA-N
MW339.85 g/mol
LogP5.77
Rot. Bonds3

About N-(4-chlorophenyl)-6-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine

N-(4-chlorophenyl)-6-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 5095320) has the molecular formula C18H14ClN3S and a molecular weight of 339.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID5095320
Molecular FormulaC18H14ClN3S
Molecular Weight339.85 g/mol
Exact Mass339.06
IUPAC NameN-(4-chlorophenyl)-6-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine
SMILESCc1ccc2nc(-c3ccsc3)c(Nc3ccc(Cl)cc3)n2c1
InChIInChI=1S/C18H14ClN3S/c1-12-2-7-16-21-17(13-8-9-23-11-13)18(22(16)10-12)20-15-5-3-14(19)4-6-15/h2-11,20H,1H3
InChIKeyOFVSJBUKVZZBCL-UHFFFAOYSA-N
XLogP5.77
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500339.85
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of N-(4-chlorophenyl)-6-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine (CID 5095320) is N-(4-chlorophenyl)-6-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for N-(4-chlorophenyl)-6-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine is Cc1ccc2nc(-c3ccsc3)c(Nc3ccc(Cl)cc3)n2c1.
What is the InChIKey of N-(4-chlorophenyl)-6-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is OFVSJBUKVZZBCL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3S/c1-12-2-7-16-21-17(13-8-9-23-11-13)18(22(16)10-12)20-15-5-3-14(19)4-6-15/h2-11,20H,1H3.
What are the key properties of N-(4-chlorophenyl)-6-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine?
N-(4-chlorophenyl)-6-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 339.85 g/mol, XLogP of 5.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-methyl-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 5095320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).