2-[6-(4-chlorophenyl)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]-1-thiophen-2-ylethanone

C18H14ClN3OS — CID 175736312

IUPAC2-[6-(4-chlorophenyl)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]-1-thiophen-2-ylethanone
SMILESO=C(CN1CNc2ncc(-c3ccc(Cl)cc3)cc21)c1cccs1
InChIInChI=1S/C18H14ClN3OS/c19-14-5-3-12(4-6-14)13-8-15-18(20-9-13)21-11-22(15)10-16(23)17-2-1-7-24-17/h1-9H,10-11H2,(H,20,21)
InChIKeyLKIGREWPVUKAJH-UHFFFAOYSA-N
MW355.85 g/mol
LogP4.54
Rot. Bonds4

About 2-[6-(4-chlorophenyl)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]-1-thiophen-2-ylethanone

2-[6-(4-chlorophenyl)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]-1-thiophen-2-ylethanone (PubChem CID 175736312) has the molecular formula C18H14ClN3OS and a molecular weight of 355.85 g/mol. Its IUPAC name is 2-[6-(4-chlorophenyl)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]-1-thiophen-2-ylethanone.

Molecular Properties

Compound Name2-[6-(4-chlorophenyl)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]-1-thiophen-2-ylethanone
PubChem CID175736312
Molecular FormulaC18H14ClN3OS
Molecular Weight355.85 g/mol
Exact Mass355.05
IUPAC Name2-[6-(4-chlorophenyl)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]-1-thiophen-2-ylethanone
SMILESO=C(CN1CNc2ncc(-c3ccc(Cl)cc3)cc21)c1cccs1
InChIInChI=1S/C18H14ClN3OS/c19-14-5-3-12(4-6-14)13-8-15-18(20-9-13)21-11-22(15)10-16(23)17-2-1-7-24-17/h1-9H,10-11H2,(H,20,21)
InChIKeyLKIGREWPVUKAJH-UHFFFAOYSA-N
XLogP4.54
TPSA45.23 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.85
LogP ≤ 54.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[6-(4-chlorophenyl)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]-1-thiophen-2-ylethanone?
The IUPAC name of 2-[6-(4-chlorophenyl)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]-1-thiophen-2-ylethanone (CID 175736312) is 2-[6-(4-chlorophenyl)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]-1-thiophen-2-ylethanone.
What is the SMILES notation for 2-[6-(4-chlorophenyl)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]-1-thiophen-2-ylethanone?
The canonical SMILES for 2-[6-(4-chlorophenyl)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]-1-thiophen-2-ylethanone is O=C(CN1CNc2ncc(-c3ccc(Cl)cc3)cc21)c1cccs1.
What is the InChIKey of 2-[6-(4-chlorophenyl)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]-1-thiophen-2-ylethanone?
The InChIKey is LKIGREWPVUKAJH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClN3OS/c19-14-5-3-12(4-6-14)13-8-15-18(20-9-13)21-11-22(15)10-16(23)17-2-1-7-24-17/h1-9H,10-11H2,(H,20,21).
What are the key properties of 2-[6-(4-chlorophenyl)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]-1-thiophen-2-ylethanone?
2-[6-(4-chlorophenyl)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]-1-thiophen-2-ylethanone has a molecular weight of 355.85 g/mol, XLogP of 4.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[6-(4-chlorophenyl)-2,3-dihydroimidazo[4,5-b]pyridin-1-yl]-1-thiophen-2-ylethanone is sourced from PubChem (CID 175736312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).