4-[[5-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile

C25H18N4S — CID 70341427

IUPAC4-[[5-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2ncc(Cc3nc(-c4ccc5ccccc5c4)cs3)[nH]2)cc1
InChIInChI=1S/C25H18N4S/c26-14-18-7-5-17(6-8-18)11-24-27-15-22(28-24)13-25-29-23(16-30-25)21-10-9-19-3-1-2-4-20(19)12-21/h1-10,12,15-16H,11,13H2,(H,27,28)
InChIKeyNPJVQDJTLDBFBE-UHFFFAOYSA-N
MW406.51 g/mol
LogP5.74
Rot. Bonds5

About 4-[[5-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile

4-[[5-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile (PubChem CID 70341427) has the molecular formula C25H18N4S and a molecular weight of 406.51 g/mol. Its IUPAC name is 4-[[5-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile.

Molecular Properties

Compound Name4-[[5-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile
PubChem CID70341427
Molecular FormulaC25H18N4S
Molecular Weight406.51 g/mol
Exact Mass406.13
IUPAC Name4-[[5-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile
SMILESN#Cc1ccc(Cc2ncc(Cc3nc(-c4ccc5ccccc5c4)cs3)[nH]2)cc1
InChIInChI=1S/C25H18N4S/c26-14-18-7-5-17(6-8-18)11-24-27-15-22(28-24)13-25-29-23(16-30-25)21-10-9-19-3-1-2-4-20(19)12-21/h1-10,12,15-16H,11,13H2,(H,27,28)
InChIKeyNPJVQDJTLDBFBE-UHFFFAOYSA-N
XLogP5.74
TPSA65.36 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500406.51
LogP ≤ 55.74
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[[5-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile?
The IUPAC name of 4-[[5-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile (CID 70341427) is 4-[[5-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile.
What is the SMILES notation for 4-[[5-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile?
The canonical SMILES for 4-[[5-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile is N#Cc1ccc(Cc2ncc(Cc3nc(-c4ccc5ccccc5c4)cs3)[nH]2)cc1.
What is the InChIKey of 4-[[5-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile?
The InChIKey is NPJVQDJTLDBFBE-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H18N4S/c26-14-18-7-5-17(6-8-18)11-24-27-15-22(28-24)13-25-29-23(16-30-25)21-10-9-19-3-1-2-4-20(19)12-21/h1-10,12,15-16H,11,13H2,(H,27,28).
What are the key properties of 4-[[5-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile?
4-[[5-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile has a molecular weight of 406.51 g/mol, XLogP of 5.74, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[5-[(4-naphthalen-2-yl-1,3-thiazol-2-yl)methyl]-1H-imidazol-2-yl]methyl]benzonitrile is sourced from PubChem (CID 70341427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).