4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole

C26H24N4OS — CID 166631330

IUPAC4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
SMILESc1ccc(-c2cnc(CN3CCC(c4nc(-c5cc6ccccc6o5)cs4)CC3)[nH]2)cc1
InChIInChI=1S/C26H24N4OS/c1-2-6-18(7-3-1)21-15-27-25(28-21)16-30-12-10-19(11-13-30)26-29-22(17-32-26)24-14-20-8-4-5-9-23(20)31-24/h1-9,14-15,17,19H,10-13,16H2,(H,27,28)
InChIKeyCMIXZGOTNMEHOF-UHFFFAOYSA-N
MW440.57 g/mol
LogP6.33
Rot. Bonds5

About 4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole

4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole (PubChem CID 166631330) has the molecular formula C26H24N4OS and a molecular weight of 440.57 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
PubChem CID166631330
Molecular FormulaC26H24N4OS
Molecular Weight440.57 g/mol
Exact Mass440.17
IUPAC Name4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
SMILESc1ccc(-c2cnc(CN3CCC(c4nc(-c5cc6ccccc6o5)cs4)CC3)[nH]2)cc1
InChIInChI=1S/C26H24N4OS/c1-2-6-18(7-3-1)21-15-27-25(28-21)16-30-12-10-19(11-13-30)26-29-22(17-32-26)24-14-20-8-4-5-9-23(20)31-24/h1-9,14-15,17,19H,10-13,16H2,(H,27,28)
InChIKeyCMIXZGOTNMEHOF-UHFFFAOYSA-N
XLogP6.33
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500440.57
LogP ≤ 56.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole (CID 166631330) is 4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole is c1ccc(-c2cnc(CN3CCC(c4nc(-c5cc6ccccc6o5)cs4)CC3)[nH]2)cc1.
What is the InChIKey of 4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
The InChIKey is CMIXZGOTNMEHOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C26H24N4OS/c1-2-6-18(7-3-1)21-15-27-25(28-21)16-30-12-10-19(11-13-30)26-29-22(17-32-26)24-14-20-8-4-5-9-23(20)31-24/h1-9,14-15,17,19H,10-13,16H2,(H,27,28).
What are the key properties of 4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole has a molecular weight of 440.57 g/mol, XLogP of 6.33, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-2-[1-[(5-phenyl-1H-imidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 166631330), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).