6-chloro-2-(5-chlorothiophen-2-yl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine

C17H17Cl2N3S — CID 15994818

IUPAC6-chloro-2-(5-chlorothiophen-2-yl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine
SMILESClc1ccc2nc(-c3ccc(Cl)s3)c(NC3CCCCC3)n2c1
InChIInChI=1S/C17H17Cl2N3S/c18-11-6-9-15-21-16(13-7-8-14(19)23-13)17(22(15)10-11)20-12-4-2-1-3-5-12/h6-10,12,20H,1-5H2
InChIKeyCJQLHNPOKNBPED-UHFFFAOYSA-N
MW366.32 g/mol
LogP6.11
Rot. Bonds3

About 6-chloro-2-(5-chlorothiophen-2-yl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine

6-chloro-2-(5-chlorothiophen-2-yl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine (PubChem CID 15994818) has the molecular formula C17H17Cl2N3S and a molecular weight of 366.32 g/mol. Its IUPAC name is 6-chloro-2-(5-chlorothiophen-2-yl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine.

Molecular Properties

Compound Name6-chloro-2-(5-chlorothiophen-2-yl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine
PubChem CID15994818
Molecular FormulaC17H17Cl2N3S
Molecular Weight366.32 g/mol
Exact Mass365.05
IUPAC Name6-chloro-2-(5-chlorothiophen-2-yl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine
SMILESClc1ccc2nc(-c3ccc(Cl)s3)c(NC3CCCCC3)n2c1
InChIInChI=1S/C17H17Cl2N3S/c18-11-6-9-15-21-16(13-7-8-14(19)23-13)17(22(15)10-11)20-12-4-2-1-3-5-12/h6-10,12,20H,1-5H2
InChIKeyCJQLHNPOKNBPED-UHFFFAOYSA-N
XLogP6.11
TPSA29.33 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500366.32
LogP ≤ 56.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-2-(5-chlorothiophen-2-yl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine?
The IUPAC name of 6-chloro-2-(5-chlorothiophen-2-yl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine (CID 15994818) is 6-chloro-2-(5-chlorothiophen-2-yl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine.
What is the SMILES notation for 6-chloro-2-(5-chlorothiophen-2-yl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine?
The canonical SMILES for 6-chloro-2-(5-chlorothiophen-2-yl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine is Clc1ccc2nc(-c3ccc(Cl)s3)c(NC3CCCCC3)n2c1.
What is the InChIKey of 6-chloro-2-(5-chlorothiophen-2-yl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine?
The InChIKey is CJQLHNPOKNBPED-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H17Cl2N3S/c18-11-6-9-15-21-16(13-7-8-14(19)23-13)17(22(15)10-11)20-12-4-2-1-3-5-12/h6-10,12,20H,1-5H2.
What are the key properties of 6-chloro-2-(5-chlorothiophen-2-yl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine?
6-chloro-2-(5-chlorothiophen-2-yl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine has a molecular weight of 366.32 g/mol, XLogP of 6.11, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-2-(5-chlorothiophen-2-yl)-N-cyclohexylimidazo[1,2-a]pyridin-3-amine is sourced from PubChem (CID 15994818), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).