3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-pyridin-4-ylpropanamide

C23H20N4OS — CID 23861371

IUPAC3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-pyridin-4-ylpropanamide
SMILESO=C(CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccncc1
InChIInChI=1S/C23H20N4OS/c28-20(25-19-11-14-24-15-12-19)13-16-29-23-26-21(17-7-3-1-4-8-17)22(27-23)18-9-5-2-6-10-18/h1-12,14-15H,13,16H2,(H,26,27)(H,24,25,28)
InChIKeyJYYPOQQAVOGKGU-UHFFFAOYSA-N
MW400.51 g/mol
LogP5.26
Rot. Bonds7

About 3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-pyridin-4-ylpropanamide

3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-pyridin-4-ylpropanamide (PubChem CID 23861371) has the molecular formula C23H20N4OS and a molecular weight of 400.51 g/mol. Its IUPAC name is 3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-pyridin-4-ylpropanamide.

Molecular Properties

Compound Name3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-pyridin-4-ylpropanamide
PubChem CID23861371
Molecular FormulaC23H20N4OS
Molecular Weight400.51 g/mol
Exact Mass400.14
IUPAC Name3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-pyridin-4-ylpropanamide
SMILESO=C(CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccncc1
InChIInChI=1S/C23H20N4OS/c28-20(25-19-11-14-24-15-12-19)13-16-29-23-26-21(17-7-3-1-4-8-17)22(27-23)18-9-5-2-6-10-18/h1-12,14-15H,13,16H2,(H,26,27)(H,24,25,28)
InChIKeyJYYPOQQAVOGKGU-UHFFFAOYSA-N
XLogP5.26
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.51
LogP ≤ 55.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-pyridin-4-ylpropanamide?
The IUPAC name of 3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-pyridin-4-ylpropanamide (CID 23861371) is 3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-pyridin-4-ylpropanamide.
What is the SMILES notation for 3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-pyridin-4-ylpropanamide?
The canonical SMILES for 3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-pyridin-4-ylpropanamide is O=C(CCSc1nc(-c2ccccc2)c(-c2ccccc2)[nH]1)Nc1ccncc1.
What is the InChIKey of 3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-pyridin-4-ylpropanamide?
The InChIKey is JYYPOQQAVOGKGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H20N4OS/c28-20(25-19-11-14-24-15-12-19)13-16-29-23-26-21(17-7-3-1-4-8-17)22(27-23)18-9-5-2-6-10-18/h1-12,14-15H,13,16H2,(H,26,27)(H,24,25,28).
What are the key properties of 3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-pyridin-4-ylpropanamide?
3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-pyridin-4-ylpropanamide has a molecular weight of 400.51 g/mol, XLogP of 5.26, 7 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(4,5-diphenyl-1H-imidazol-2-yl)sulfanyl]-N-pyridin-4-ylpropanamide is sourced from PubChem (CID 23861371), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).