2-[1-[2-(1H-benzimidazol-2-yl)propan-2-yl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole

C26H26N4OS — CID 166625243

IUPAC2-[1-[2-(1H-benzimidazol-2-yl)propan-2-yl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole
SMILESCC(C)(c1nc2ccccc2[nH]1)N1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1
InChIInChI=1S/C26H26N4OS/c1-26(2,25-28-19-8-4-5-9-20(19)29-25)30-13-11-17(12-14-30)24-27-21(16-32-24)23-15-18-7-3-6-10-22(18)31-23/h3-10,15-17H,11-14H2,1-2H3,(H,28,29)
InChIKeyBBFGBUZELOSQHK-UHFFFAOYSA-N
MW442.59 g/mol
LogP6.55
Rot. Bonds4

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

2-[1-[2-(1H-benzimidazol-2-yl)propan-2-yl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole (PubChem CID 166625243) has the molecular formula C26H26N4OS and a molecular weight of 442.59 g/mol. Its IUPAC name is 2-[1-[2-(1H-benzimidazol-2-yl)propan-2-yl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole.

Molecular Properties

Compound Name2-[1-[2-(1H-benzimidazol-2-yl)propan-2-yl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole
PubChem CID166625243
Molecular FormulaC26H26N4OS
Molecular Weight442.59 g/mol
Exact Mass442.18
IUPAC Name2-[1-[2-(1H-benzimidazol-2-yl)propan-2-yl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole
SMILESCC(C)(c1nc2ccccc2[nH]1)N1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1
InChIInChI=1S/C26H26N4OS/c1-26(2,25-28-19-8-4-5-9-20(19)29-25)30-13-11-17(12-14-30)24-27-21(16-32-24)23-15-18-7-3-6-10-22(18)31-23/h3-10,15-17H,11-14H2,1-2H3,(H,28,29)
InChIKeyBBFGBUZELOSQHK-UHFFFAOYSA-N
XLogP6.55
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500442.59
LogP ≤ 56.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(1H-benzimidazol-2-yl)propan-2-yl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole?
The IUPAC name of 2-[1-[2-(1H-benzimidazol-2-yl)propan-2-yl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole (CID 166625243) is 2-[1-[2-(1H-benzimidazol-2-yl)propan-2-yl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole.
What is the SMILES notation for 2-[1-[2-(1H-benzimidazol-2-yl)propan-2-yl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole?
The canonical SMILES for 2-[1-[2-(1H-benzimidazol-2-yl)propan-2-yl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole is CC(C)(c1nc2ccccc2[nH]1)N1CCC(c2nc(-c3cc4ccccc4o3)cs2)CC1.
What is the InChIKey of 2-[1-[2-(1H-benzimidazol-2-yl)propan-2-yl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole?
The InChIKey is BBFGBUZELOSQHK-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H26N4OS/c1-26(2,25-28-19-8-4-5-9-20(19)29-25)30-13-11-17(12-14-30)24-27-21(16-32-24)23-15-18-7-3-6-10-22(18)31-23/h3-10,15-17H,11-14H2,1-2H3,(H,28,29).
What are the key properties of 2-[1-[2-(1H-benzimidazol-2-yl)propan-2-yl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole?
2-[1-[2-(1H-benzimidazol-2-yl)propan-2-yl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole has a molecular weight of 442.59 g/mol, XLogP of 6.55, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(1H-benzimidazol-2-yl)propan-2-yl]piperidin-4-yl]-4-(1-benzofuran-2-yl)-1,3-thiazole is sourced from PubChem (CID 166625243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).