1H-benzimidazol-2-yl-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone

C24H20N4O2S — CID 166634865

IUPAC1H-benzimidazol-2-yl-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1
InChIInChI=1S/C24H20N4O2S/c29-24(22-25-17-6-2-3-7-18(17)26-22)28-11-9-15(10-12-28)23-27-19(14-31-23)21-13-16-5-1-4-8-20(16)30-21/h1-8,13-15H,9-12H2,(H,25,26)
InChIKeyPNWSPGPXXUQLQJ-UHFFFAOYSA-N
MW428.52 g/mol
LogP5.45
Rot. Bonds3

About 1H-benzimidazol-2-yl-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone

1H-benzimidazol-2-yl-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone (PubChem CID 166634865) has the molecular formula C24H20N4O2S and a molecular weight of 428.52 g/mol. Its IUPAC name is 1H-benzimidazol-2-yl-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone.

Molecular Properties

Compound Name1H-benzimidazol-2-yl-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
PubChem CID166634865
Molecular FormulaC24H20N4O2S
Molecular Weight428.52 g/mol
Exact Mass428.13
IUPAC Name1H-benzimidazol-2-yl-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone
SMILESO=C(c1nc2ccccc2[nH]1)N1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1
InChIInChI=1S/C24H20N4O2S/c29-24(22-25-17-6-2-3-7-18(17)26-22)28-11-9-15(10-12-28)23-27-19(14-31-23)21-13-16-5-1-4-8-20(16)30-21/h1-8,13-15H,9-12H2,(H,25,26)
InChIKeyPNWSPGPXXUQLQJ-UHFFFAOYSA-N
XLogP5.45
TPSA75.02 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.52
LogP ≤ 55.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1H-benzimidazol-2-yl-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The IUPAC name of 1H-benzimidazol-2-yl-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone (CID 166634865) is 1H-benzimidazol-2-yl-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone.
What is the SMILES notation for 1H-benzimidazol-2-yl-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The canonical SMILES for 1H-benzimidazol-2-yl-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone is O=C(c1nc2ccccc2[nH]1)N1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1.
What is the InChIKey of 1H-benzimidazol-2-yl-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
The InChIKey is PNWSPGPXXUQLQJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H20N4O2S/c29-24(22-25-17-6-2-3-7-18(17)26-22)28-11-9-15(10-12-28)23-27-19(14-31-23)21-13-16-5-1-4-8-20(16)30-21/h1-8,13-15H,9-12H2,(H,25,26).
What are the key properties of 1H-benzimidazol-2-yl-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone?
1H-benzimidazol-2-yl-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone has a molecular weight of 428.52 g/mol, XLogP of 5.45, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1H-benzimidazol-2-yl-[4-[4-(1-benzofuran-2-yl)-1,3-thiazol-2-yl]piperidin-1-yl]methanone is sourced from PubChem (CID 166634865), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).