(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-thiophen-3-ylmethanone

C17H15N3OS — CID 53145373

IUPAC(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCc2[nH]cnc2C1c1ccccc1
InChIInChI=1S/C17H15N3OS/c21-17(13-7-9-22-10-13)20-8-6-14-15(19-11-18-14)16(20)12-4-2-1-3-5-12/h1-5,7,9-11,16H,6,8H2,(H,18,19)
InChIKeyAOUSCOLGUNPUHY-UHFFFAOYSA-N
MW309.39 g/mol
LogP3.26
Rot. Bonds2

About (4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-thiophen-3-ylmethanone

(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-thiophen-3-ylmethanone (PubChem CID 53145373) has the molecular formula C17H15N3OS and a molecular weight of 309.39 g/mol. Its IUPAC name is (4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-thiophen-3-ylmethanone.

Molecular Properties

Compound Name(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-thiophen-3-ylmethanone
PubChem CID53145373
Molecular FormulaC17H15N3OS
Molecular Weight309.39 g/mol
Exact Mass309.09
IUPAC Name(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-thiophen-3-ylmethanone
SMILESO=C(c1ccsc1)N1CCc2[nH]cnc2C1c1ccccc1
InChIInChI=1S/C17H15N3OS/c21-17(13-7-9-22-10-13)20-8-6-14-15(19-11-18-14)16(20)12-4-2-1-3-5-12/h1-5,7,9-11,16H,6,8H2,(H,18,19)
InChIKeyAOUSCOLGUNPUHY-UHFFFAOYSA-N
XLogP3.26
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500309.39
LogP ≤ 53.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-thiophen-3-ylmethanone?
The IUPAC name of (4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-thiophen-3-ylmethanone (CID 53145373) is (4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-thiophen-3-ylmethanone.
What is the SMILES notation for (4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-thiophen-3-ylmethanone?
The canonical SMILES for (4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-thiophen-3-ylmethanone is O=C(c1ccsc1)N1CCc2[nH]cnc2C1c1ccccc1.
What is the InChIKey of (4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-thiophen-3-ylmethanone?
The InChIKey is AOUSCOLGUNPUHY-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15N3OS/c21-17(13-7-9-22-10-13)20-8-6-14-15(19-11-18-14)16(20)12-4-2-1-3-5-12/h1-5,7,9-11,16H,6,8H2,(H,18,19).
What are the key properties of (4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-thiophen-3-ylmethanone?
(4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-thiophen-3-ylmethanone has a molecular weight of 309.39 g/mol, XLogP of 3.26, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-phenyl-1,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)-thiophen-3-ylmethanone is sourced from PubChem (CID 53145373), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).