N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

C24H16F2N4OS2 — CID 60556707

IUPACN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1ccccc1SCc1cscn1
InChIInChI=1S/C24H16F2N4OS2/c25-14-5-7-19(26)18(9-14)23-29-20-8-6-15(10-21(20)30-23)28-24(31)17-3-1-2-4-22(17)33-12-16-11-32-13-27-16/h1-11,13H,12H2,(H,28,31)(H,29,30)
InChIKeyHNZBNLUZKYLCCW-UHFFFAOYSA-N
MW478.55 g/mol
LogP6.51
Rot. Bonds6

About N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide

N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (PubChem CID 60556707) has the molecular formula C24H16F2N4OS2 and a molecular weight of 478.55 g/mol. Its IUPAC name is N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
PubChem CID60556707
Molecular FormulaC24H16F2N4OS2
Molecular Weight478.55 g/mol
Exact Mass478.07
IUPAC NameN-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1ccccc1SCc1cscn1
InChIInChI=1S/C24H16F2N4OS2/c25-14-5-7-19(26)18(9-14)23-29-20-8-6-15(10-21(20)30-23)28-24(31)17-3-1-2-4-22(17)33-12-16-11-32-13-27-16/h1-11,13H,12H2,(H,28,31)(H,29,30)
InChIKeyHNZBNLUZKYLCCW-UHFFFAOYSA-N
XLogP6.51
TPSA70.67 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms33
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500478.55
LogP ≤ 56.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (CID 60556707) is N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is O=C(Nc1ccc2nc(-c3cc(F)ccc3F)[nH]c2c1)c1ccccc1SCc1cscn1.
What is the InChIKey of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The InChIKey is HNZBNLUZKYLCCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H16F2N4OS2/c25-14-5-7-19(26)18(9-14)23-29-20-8-6-15(10-21(20)30-23)28-24(31)17-3-1-2-4-22(17)33-12-16-11-32-13-27-16/h1-11,13H,12H2,(H,28,31)(H,29,30).
What are the key properties of N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide has a molecular weight of 478.55 g/mol, XLogP of 6.51, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(2,5-difluorophenyl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 60556707), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).