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

C22H16N4O2S2 — CID 55946372

IUPACN-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccccc1SCc1cscn1
InChIInChI=1S/C22H16N4O2S2/c27-22(16-4-1-2-6-20(16)30-12-15-11-29-13-23-15)24-14-7-8-17-18(10-14)26-21(25-17)19-5-3-9-28-19/h1-11,13H,12H2,(H,24,27)(H,25,26)
InChIKeyGNXJTSWWEPPTBF-UHFFFAOYSA-N
MW432.53 g/mol
LogP5.82
Rot. Bonds6

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

N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (PubChem CID 55946372) has the molecular formula C22H16N4O2S2 and a molecular weight of 432.53 g/mol. Its IUPAC name is N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.

Molecular Properties

Compound NameN-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
PubChem CID55946372
Molecular FormulaC22H16N4O2S2
Molecular Weight432.53 g/mol
Exact Mass432.07
IUPAC NameN-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide
SMILESO=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccccc1SCc1cscn1
InChIInChI=1S/C22H16N4O2S2/c27-22(16-4-1-2-6-20(16)30-12-15-11-29-13-23-15)24-14-7-8-17-18(10-14)26-21(25-17)19-5-3-9-28-19/h1-11,13H,12H2,(H,24,27)(H,25,26)
InChIKeyGNXJTSWWEPPTBF-UHFFFAOYSA-N
XLogP5.82
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.53
LogP ≤ 55.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The IUPAC name of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide (CID 55946372) is N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide.
What is the SMILES notation for N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The canonical SMILES for N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is O=C(Nc1ccc2nc(-c3ccco3)[nH]c2c1)c1ccccc1SCc1cscn1.
What is the InChIKey of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
The InChIKey is GNXJTSWWEPPTBF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2S2/c27-22(16-4-1-2-6-20(16)30-12-15-11-29-13-23-15)24-14-7-8-17-18(10-14)26-21(25-17)19-5-3-9-28-19/h1-11,13H,12H2,(H,24,27)(H,25,26).
What are the key properties of N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide?
N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide has a molecular weight of 432.53 g/mol, XLogP of 5.82, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(furan-2-yl)-3H-benzimidazol-5-yl]-2-(1,3-thiazol-4-ylmethylsulfanyl)benzamide is sourced from PubChem (CID 55946372), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).