6-chloro-N-(4-propan-2-ylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine

C20H18ClN3S — CID 15989642

IUPAC6-chloro-N-(4-propan-2-ylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine
SMILESCC(C)c1ccc(Nc2c(-c3ccsc3)nc3ccc(Cl)cn23)cc1
InChIInChI=1S/C20H18ClN3S/c1-13(2)14-3-6-17(7-4-14)22-20-19(15-9-10-25-12-15)23-18-8-5-16(21)11-24(18)20/h3-13,22H,1-2H3
InChIKeyYMQLUCGBQXWANZ-UHFFFAOYSA-N
MW367.91 g/mol
LogP6.58
Rot. Bonds4

About 6-chloro-N-(4-propan-2-ylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine

6-chloro-N-(4-propan-2-ylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine (PubChem CID 15989642) has the molecular formula C20H18ClN3S and a molecular weight of 367.91 g/mol. Its IUPAC name is 6-chloro-N-(4-propan-2-ylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-N-(4-propan-2-ylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine
PubChem CID15989642
Molecular FormulaC20H18ClN3S
Molecular Weight367.91 g/mol
Exact Mass367.09
IUPAC Name6-chloro-N-(4-propan-2-ylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine
SMILESCC(C)c1ccc(Nc2c(-c3ccsc3)nc3ccc(Cl)cn23)cc1
InChIInChI=1S/C20H18ClN3S/c1-13(2)14-3-6-17(7-4-14)22-20-19(15-9-10-25-12-15)23-18-8-5-16(21)11-24(18)20/h3-13,22H,1-2H3
InChIKeyYMQLUCGBQXWANZ-UHFFFAOYSA-N
XLogP6.58
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500367.91
LogP ≤ 56.58
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-N-(4-propan-2-ylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-chloro-N-(4-propan-2-ylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine (CID 15989642) is 6-chloro-N-(4-propan-2-ylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-chloro-N-(4-propan-2-ylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-chloro-N-(4-propan-2-ylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine is CC(C)c1ccc(Nc2c(-c3ccsc3)nc3ccc(Cl)cn23)cc1.
What is the InChIKey of 6-chloro-N-(4-propan-2-ylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is YMQLUCGBQXWANZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H18ClN3S/c1-13(2)14-3-6-17(7-4-14)22-20-19(15-9-10-25-12-15)23-18-8-5-16(21)11-24(18)20/h3-13,22H,1-2H3.
What are the key properties of 6-chloro-N-(4-propan-2-ylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine?
6-chloro-N-(4-propan-2-ylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 367.91 g/mol, XLogP of 6.58, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-N-(4-propan-2-ylphenyl)-2-thiophen-3-ylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 15989642), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).