N-cyclohexyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide

C21H20Cl3N3O — CID 11430521

IUPACN-cyclohexyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
SMILESO=C(Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)NC1CCCCC1
InChIInChI=1S/C21H20Cl3N3O/c22-14-8-6-13(7-9-14)20-18(11-19(28)25-16-4-2-1-3-5-16)27-12-15(23)10-17(24)21(27)26-20/h6-10,12,16H,1-5,11H2,(H,25,28)
InChIKeyCOHJPHMQYOPHPC-UHFFFAOYSA-N
MW436.77 g/mol
LogP5.95
Rot. Bonds4

About N-cyclohexyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide

N-cyclohexyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide (PubChem CID 11430521) has the molecular formula C21H20Cl3N3O and a molecular weight of 436.77 g/mol. Its IUPAC name is N-cyclohexyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide.

Molecular Properties

Compound NameN-cyclohexyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
PubChem CID11430521
Molecular FormulaC21H20Cl3N3O
Molecular Weight436.77 g/mol
Exact Mass435.07
IUPAC NameN-cyclohexyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide
SMILESO=C(Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)NC1CCCCC1
InChIInChI=1S/C21H20Cl3N3O/c22-14-8-6-13(7-9-14)20-18(11-19(28)25-16-4-2-1-3-5-16)27-12-15(23)10-17(24)21(27)26-20/h6-10,12,16H,1-5,11H2,(H,25,28)
InChIKeyCOHJPHMQYOPHPC-UHFFFAOYSA-N
XLogP5.95
TPSA46.40 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500436.77
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-cyclohexyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The IUPAC name of N-cyclohexyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide (CID 11430521) is N-cyclohexyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide.
What is the SMILES notation for N-cyclohexyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The canonical SMILES for N-cyclohexyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide is O=C(Cc1c(-c2ccc(Cl)cc2)nc2c(Cl)cc(Cl)cn12)NC1CCCCC1.
What is the InChIKey of N-cyclohexyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
The InChIKey is COHJPHMQYOPHPC-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H20Cl3N3O/c22-14-8-6-13(7-9-14)20-18(11-19(28)25-16-4-2-1-3-5-16)27-12-15(23)10-17(24)21(27)26-20/h6-10,12,16H,1-5,11H2,(H,25,28).
What are the key properties of N-cyclohexyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide?
N-cyclohexyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide has a molecular weight of 436.77 g/mol, XLogP of 5.95, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclohexyl-2-[6,8-dichloro-2-(4-chlorophenyl)imidazo[1,2-a]pyridin-3-yl]acetamide is sourced from PubChem (CID 11430521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).