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

C24H21FN4OS — CID 166630690

IUPAC4-(1-benzofuran-2-yl)-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
SMILESFc1cccc2[nH]c(CN3CCC(c4nc(-c5cc6ccccc6o5)cs4)CC3)nc12
InChIInChI=1S/C24H21FN4OS/c25-17-5-3-6-18-23(17)28-22(26-18)13-29-10-8-15(9-11-29)24-27-19(14-31-24)21-12-16-4-1-2-7-20(16)30-21/h1-7,12,14-15H,8-11,13H2,(H,26,28)
InChIKeyRVJGUZZZVNKKHC-UHFFFAOYSA-N
MW432.52 g/mol
LogP5.95
Rot. Bonds4

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

4-(1-benzofuran-2-yl)-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole (PubChem CID 166630690) has the molecular formula C24H21FN4OS and a molecular weight of 432.52 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
PubChem CID166630690
Molecular FormulaC24H21FN4OS
Molecular Weight432.52 g/mol
Exact Mass432.14
IUPAC Name4-(1-benzofuran-2-yl)-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
SMILESFc1cccc2[nH]c(CN3CCC(c4nc(-c5cc6ccccc6o5)cs4)CC3)nc12
InChIInChI=1S/C24H21FN4OS/c25-17-5-3-6-18-23(17)28-22(26-18)13-29-10-8-15(9-11-29)24-27-19(14-31-24)21-12-16-4-1-2-7-20(16)30-21/h1-7,12,14-15H,8-11,13H2,(H,26,28)
InChIKeyRVJGUZZZVNKKHC-UHFFFAOYSA-N
XLogP5.95
TPSA57.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500432.52
LogP ≤ 55.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 4-(1-benzofuran-2-yl)-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole (CID 166630690) is 4-(1-benzofuran-2-yl)-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 4-(1-benzofuran-2-yl)-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole is Fc1cccc2[nH]c(CN3CCC(c4nc(-c5cc6ccccc6o5)cs4)CC3)nc12.
What is the InChIKey of 4-(1-benzofuran-2-yl)-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
The InChIKey is RVJGUZZZVNKKHC-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21FN4OS/c25-17-5-3-6-18-23(17)28-22(26-18)13-29-10-8-15(9-11-29)24-27-19(14-31-24)21-12-16-4-1-2-7-20(16)30-21/h1-7,12,14-15H,8-11,13H2,(H,26,28).
What are the key properties of 4-(1-benzofuran-2-yl)-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
4-(1-benzofuran-2-yl)-2-[1-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole has a molecular weight of 432.52 g/mol, XLogP of 5.95, 4 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-[(4-fluoro-1H-benzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 166630690), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).