4-(1-benzofuran-2-yl)-2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole

C25H24N4OS — CID 166632835

IUPAC4-(1-benzofuran-2-yl)-2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
SMILESCn1c(CN2CCC(c3nc(-c4cc5ccccc5o4)cs3)CC2)nc2ccccc21
InChIInChI=1S/C25H24N4OS/c1-28-21-8-4-3-7-19(21)26-24(28)15-29-12-10-17(11-13-29)25-27-20(16-31-25)23-14-18-6-2-5-9-22(18)30-23/h2-9,14,16-17H,10-13,15H2,1H3
InChIKeyDOGVRFIBFUJCQK-UHFFFAOYSA-N
MW428.56 g/mol
LogP5.82
Rot. Bonds4

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

4-(1-benzofuran-2-yl)-2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole (PubChem CID 166632835) has the molecular formula C25H24N4OS and a molecular weight of 428.56 g/mol. Its IUPAC name is 4-(1-benzofuran-2-yl)-2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole.

Molecular Properties

Compound Name4-(1-benzofuran-2-yl)-2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
PubChem CID166632835
Molecular FormulaC25H24N4OS
Molecular Weight428.56 g/mol
Exact Mass428.17
IUPAC Name4-(1-benzofuran-2-yl)-2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole
SMILESCn1c(CN2CCC(c3nc(-c4cc5ccccc5o4)cs3)CC2)nc2ccccc21
InChIInChI=1S/C25H24N4OS/c1-28-21-8-4-3-7-19(21)26-24(28)15-29-12-10-17(11-13-29)25-27-20(16-31-25)23-14-18-6-2-5-9-22(18)30-23/h2-9,14,16-17H,10-13,15H2,1H3
InChIKeyDOGVRFIBFUJCQK-UHFFFAOYSA-N
XLogP5.82
TPSA47.09 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500428.56
LogP ≤ 55.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(1-benzofuran-2-yl)-2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
The IUPAC name of 4-(1-benzofuran-2-yl)-2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole (CID 166632835) is 4-(1-benzofuran-2-yl)-2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole.
What is the SMILES notation for 4-(1-benzofuran-2-yl)-2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
The canonical SMILES for 4-(1-benzofuran-2-yl)-2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole is Cn1c(CN2CCC(c3nc(-c4cc5ccccc5o4)cs3)CC2)nc2ccccc21.
What is the InChIKey of 4-(1-benzofuran-2-yl)-2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
The InChIKey is DOGVRFIBFUJCQK-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N4OS/c1-28-21-8-4-3-7-19(21)26-24(28)15-29-12-10-17(11-13-29)25-27-20(16-31-25)23-14-18-6-2-5-9-22(18)30-23/h2-9,14,16-17H,10-13,15H2,1H3.
What are the key properties of 4-(1-benzofuran-2-yl)-2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole?
4-(1-benzofuran-2-yl)-2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole has a molecular weight of 428.56 g/mol, XLogP of 5.82, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-benzofuran-2-yl)-2-[1-[(1-methylbenzimidazol-2-yl)methyl]piperidin-4-yl]-1,3-thiazole is sourced from PubChem (CID 166632835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).