2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone

C16H19N3OS — CID 165428218

IUPAC2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESCCSCC(=O)N1Cc2[nH]cnc2C(c2ccccc2)C1
InChIInChI=1S/C16H19N3OS/c1-2-21-10-15(20)19-8-13(12-6-4-3-5-7-12)16-14(9-19)17-11-18-16/h3-7,11,13H,2,8-10H2,1H3,(H,17,18)
InChIKeyDPQUQFHDYVPFBL-UHFFFAOYSA-N
MW301.42 g/mol
LogP2.64
Rot. Bonds4

About 2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone

2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (PubChem CID 165428218) has the molecular formula C16H19N3OS and a molecular weight of 301.42 g/mol. Its IUPAC name is 2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.

Molecular Properties

Compound Name2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
PubChem CID165428218
Molecular FormulaC16H19N3OS
Molecular Weight301.42 g/mol
Exact Mass301.12
IUPAC Name2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone
SMILESCCSCC(=O)N1Cc2[nH]cnc2C(c2ccccc2)C1
InChIInChI=1S/C16H19N3OS/c1-2-21-10-15(20)19-8-13(12-6-4-3-5-7-12)16-14(9-19)17-11-18-16/h3-7,11,13H,2,8-10H2,1H3,(H,17,18)
InChIKeyDPQUQFHDYVPFBL-UHFFFAOYSA-N
XLogP2.64
TPSA48.99 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.42
LogP ≤ 52.64
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The IUPAC name of 2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone (CID 165428218) is 2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone.
What is the SMILES notation for 2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The canonical SMILES for 2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is CCSCC(=O)N1Cc2[nH]cnc2C(c2ccccc2)C1.
What is the InChIKey of 2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
The InChIKey is DPQUQFHDYVPFBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19N3OS/c1-2-21-10-15(20)19-8-13(12-6-4-3-5-7-12)16-14(9-19)17-11-18-16/h3-7,11,13H,2,8-10H2,1H3,(H,17,18).
What are the key properties of 2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone?
2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone has a molecular weight of 301.42 g/mol, XLogP of 2.64, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethylsulfanyl-1-(7-phenyl-3,4,6,7-tetrahydroimidazo[4,5-c]pyridin-5-yl)ethanone is sourced from PubChem (CID 165428218), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).