N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

C22H16N4O2S — CID 46558160

IUPACN-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccco2)n1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H16N4O2S/c27-20(12-16-13-29-22(24-16)19-6-3-11-28-19)23-15-9-7-14(8-10-15)21-25-17-4-1-2-5-18(17)26-21/h1-11,13H,12H2,(H,23,27)(H,25,26)
InChIKeyBFSJVIVTPHQAQX-UHFFFAOYSA-N
MW400.46 g/mol
LogP5.13
Rot. Bonds5

About N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide

N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (PubChem CID 46558160) has the molecular formula C22H16N4O2S and a molecular weight of 400.46 g/mol. Its IUPAC name is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.

Molecular Properties

Compound NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
PubChem CID46558160
Molecular FormulaC22H16N4O2S
Molecular Weight400.46 g/mol
Exact Mass400.10
IUPAC NameN-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide
SMILESO=C(Cc1csc(-c2ccco2)n1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1
InChIInChI=1S/C22H16N4O2S/c27-20(12-16-13-29-22(24-16)19-6-3-11-28-19)23-15-9-7-14(8-10-15)21-25-17-4-1-2-5-18(17)26-21/h1-11,13H,12H2,(H,23,27)(H,25,26)
InChIKeyBFSJVIVTPHQAQX-UHFFFAOYSA-N
XLogP5.13
TPSA83.81 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500400.46
LogP ≤ 55.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The IUPAC name of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide (CID 46558160) is N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide.
What is the SMILES notation for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The canonical SMILES for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is O=C(Cc1csc(-c2ccco2)n1)Nc1ccc(-c2nc3ccccc3[nH]2)cc1.
What is the InChIKey of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
The InChIKey is BFSJVIVTPHQAQX-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H16N4O2S/c27-20(12-16-13-29-22(24-16)19-6-3-11-28-19)23-15-9-7-14(8-10-15)21-25-17-4-1-2-5-18(17)26-21/h1-11,13H,12H2,(H,23,27)(H,25,26).
What are the key properties of N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide?
N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide has a molecular weight of 400.46 g/mol, XLogP of 5.13, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(1H-benzimidazol-2-yl)phenyl]-2-[2-(furan-2-yl)-1,3-thiazol-4-yl]acetamide is sourced from PubChem (CID 46558160), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).