4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(furan-2-yl)-1H-benzimidazole

C21H15N5OS — CID 70445332

IUPAC4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(furan-2-yl)-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3cscn3)nc2c1.c1coc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C11H8N2O.C10H7N3S/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10;1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-7H,(H,12,13);1-6H,(H,12,13)
InChIKeyFSDSWSVZXFPXEW-UHFFFAOYSA-N
MW385.45 g/mol
LogP5.51
Rot. Bonds2

About 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(furan-2-yl)-1H-benzimidazole

4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(furan-2-yl)-1H-benzimidazole (PubChem CID 70445332) has the molecular formula C21H15N5OS and a molecular weight of 385.45 g/mol. Its IUPAC name is 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(furan-2-yl)-1H-benzimidazole.

Molecular Properties

Compound Name4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(furan-2-yl)-1H-benzimidazole
PubChem CID70445332
Molecular FormulaC21H15N5OS
Molecular Weight385.45 g/mol
Exact Mass385.10
IUPAC Name4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(furan-2-yl)-1H-benzimidazole
SMILESc1ccc2[nH]c(-c3cscn3)nc2c1.c1coc(-c2nc3ccccc3[nH]2)c1
InChIInChI=1S/C11H8N2O.C10H7N3S/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10;1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-7H,(H,12,13);1-6H,(H,12,13)
InChIKeyFSDSWSVZXFPXEW-UHFFFAOYSA-N
XLogP5.51
TPSA83.39 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms28
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500385.45
LogP ≤ 55.51
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(furan-2-yl)-1H-benzimidazole?
The IUPAC name of 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(furan-2-yl)-1H-benzimidazole (CID 70445332) is 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(furan-2-yl)-1H-benzimidazole.
What is the SMILES notation for 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(furan-2-yl)-1H-benzimidazole?
The canonical SMILES for 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(furan-2-yl)-1H-benzimidazole is c1ccc2[nH]c(-c3cscn3)nc2c1.c1coc(-c2nc3ccccc3[nH]2)c1.
What is the InChIKey of 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(furan-2-yl)-1H-benzimidazole?
The InChIKey is FSDSWSVZXFPXEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H8N2O.C10H7N3S/c1-2-5-9-8(4-1)12-11(13-9)10-6-3-7-14-10;1-2-4-8-7(3-1)12-10(13-8)9-5-14-6-11-9/h1-7H,(H,12,13);1-6H,(H,12,13).
What are the key properties of 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(furan-2-yl)-1H-benzimidazole?
4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(furan-2-yl)-1H-benzimidazole has a molecular weight of 385.45 g/mol, XLogP of 5.51, 2 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1H-benzimidazol-2-yl)-1,3-thiazole;2-(furan-2-yl)-1H-benzimidazole is sourced from PubChem (CID 70445332), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).