3,5-dichloro-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

C20H15Cl2N3O2 — CID 42694634

IUPAC3,5-dichloro-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCc1ccc2nc(-c3ccc(C)o3)c(NC(=O)c3cc(Cl)cc(Cl)c3)n2c1
InChIInChI=1S/C20H15Cl2N3O2/c1-11-3-6-17-23-18(16-5-4-12(2)27-16)19(25(17)10-11)24-20(26)13-7-14(21)9-15(22)8-13/h3-10H,1-2H3,(H,24,26)
InChIKeyQQDSUCOPLLFERG-UHFFFAOYSA-N
MW400.27 g/mol
LogP5.77
Rot. Bonds3

About 3,5-dichloro-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide

3,5-dichloro-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (PubChem CID 42694634) has the molecular formula C20H15Cl2N3O2 and a molecular weight of 400.27 g/mol. Its IUPAC name is 3,5-dichloro-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.

Molecular Properties

Compound Name3,5-dichloro-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
PubChem CID42694634
Molecular FormulaC20H15Cl2N3O2
Molecular Weight400.27 g/mol
Exact Mass399.05
IUPAC Name3,5-dichloro-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide
SMILESCc1ccc2nc(-c3ccc(C)o3)c(NC(=O)c3cc(Cl)cc(Cl)c3)n2c1
InChIInChI=1S/C20H15Cl2N3O2/c1-11-3-6-17-23-18(16-5-4-12(2)27-16)19(25(17)10-11)24-20(26)13-7-14(21)9-15(22)8-13/h3-10H,1-2H3,(H,24,26)
InChIKeyQQDSUCOPLLFERG-UHFFFAOYSA-N
XLogP5.77
TPSA59.54 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.27
LogP ≤ 55.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3,5-dichloro-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The IUPAC name of 3,5-dichloro-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide (CID 42694634) is 3,5-dichloro-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide.
What is the SMILES notation for 3,5-dichloro-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The canonical SMILES for 3,5-dichloro-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is Cc1ccc2nc(-c3ccc(C)o3)c(NC(=O)c3cc(Cl)cc(Cl)c3)n2c1.
What is the InChIKey of 3,5-dichloro-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
The InChIKey is QQDSUCOPLLFERG-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H15Cl2N3O2/c1-11-3-6-17-23-18(16-5-4-12(2)27-16)19(25(17)10-11)24-20(26)13-7-14(21)9-15(22)8-13/h3-10H,1-2H3,(H,24,26).
What are the key properties of 3,5-dichloro-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide?
3,5-dichloro-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide has a molecular weight of 400.27 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 3,5-dichloro-N-[6-methyl-2-(5-methylfuran-2-yl)imidazo[1,2-a]pyridin-3-yl]benzamide is sourced from PubChem (CID 42694634), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).