2,4,6-trichloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide

C14H12Cl3N3O — CID 139013457

IUPAC2,4,6-trichloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide
SMILESO=C(Nc1cnc2n1CCCC2)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl3N3O/c15-8-5-9(16)13(10(17)6-8)14(21)19-12-7-18-11-3-1-2-4-20(11)12/h5-7H,1-4H2,(H,19,21)
InChIKeyOZMUYSMYQYTHNF-UHFFFAOYSA-N
MW344.63 g/mol
LogP4.43
Rot. Bonds2

About 2,4,6-trichloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide

2,4,6-trichloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide (PubChem CID 139013457) has the molecular formula C14H12Cl3N3O and a molecular weight of 344.63 g/mol. Its IUPAC name is 2,4,6-trichloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide.

Molecular Properties

Compound Name2,4,6-trichloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide
PubChem CID139013457
Molecular FormulaC14H12Cl3N3O
Molecular Weight344.63 g/mol
Exact Mass343.00
IUPAC Name2,4,6-trichloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide
SMILESO=C(Nc1cnc2n1CCCC2)c1c(Cl)cc(Cl)cc1Cl
InChIInChI=1S/C14H12Cl3N3O/c15-8-5-9(16)13(10(17)6-8)14(21)19-12-7-18-11-3-1-2-4-20(11)12/h5-7H,1-4H2,(H,19,21)
InChIKeyOZMUYSMYQYTHNF-UHFFFAOYSA-N
XLogP4.43
TPSA46.92 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.63
LogP ≤ 54.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,4,6-trichloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide?
The IUPAC name of 2,4,6-trichloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide (CID 139013457) is 2,4,6-trichloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide.
What is the SMILES notation for 2,4,6-trichloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide?
The canonical SMILES for 2,4,6-trichloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide is O=C(Nc1cnc2n1CCCC2)c1c(Cl)cc(Cl)cc1Cl.
What is the InChIKey of 2,4,6-trichloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide?
The InChIKey is OZMUYSMYQYTHNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H12Cl3N3O/c15-8-5-9(16)13(10(17)6-8)14(21)19-12-7-18-11-3-1-2-4-20(11)12/h5-7H,1-4H2,(H,19,21).
What are the key properties of 2,4,6-trichloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide?
2,4,6-trichloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide has a molecular weight of 344.63 g/mol, XLogP of 4.43, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4,6-trichloro-N-(5,6,7,8-tetrahydroimidazo[1,2-a]pyridin-3-yl)benzamide is sourced from PubChem (CID 139013457), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).