2-[2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]furo[3,2-b]pyridine

C23H21N5OS — CID 166629878

IUPAC2-[2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]furo[3,2-b]pyridine
SMILESc1ccc2[nH]c(CN3CCC(c4nc(-c5cc6ncccc6o5)cs4)CC3)nc2c1
InChIInChI=1S/C23H21N5OS/c1-2-5-17-16(4-1)25-22(26-17)13-28-10-7-15(8-11-28)23-27-19(14-30-23)21-12-18-20(29-21)6-3-9-24-18/h1-6,9,12,14-15H,7-8,10-11,13H2,(H,25,26)
InChIKeyWBXXTPXVEPYJRV-UHFFFAOYSA-N
MW415.52 g/mol
LogP5.21
Rot. Bonds4

About 2-[2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]furo[3,2-b]pyridine

2-[2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]furo[3,2-b]pyridine (PubChem CID 166629878) has the molecular formula C23H21N5OS and a molecular weight of 415.52 g/mol. Its IUPAC name is 2-[2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]furo[3,2-b]pyridine.

Molecular Properties

Compound Name2-[2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]furo[3,2-b]pyridine
PubChem CID166629878
Molecular FormulaC23H21N5OS
Molecular Weight415.52 g/mol
Exact Mass415.15
IUPAC Name2-[2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]furo[3,2-b]pyridine
SMILESc1ccc2[nH]c(CN3CCC(c4nc(-c5cc6ncccc6o5)cs4)CC3)nc2c1
InChIInChI=1S/C23H21N5OS/c1-2-5-17-16(4-1)25-22(26-17)13-28-10-7-15(8-11-28)23-27-19(14-30-23)21-12-18-20(29-21)6-3-9-24-18/h1-6,9,12,14-15H,7-8,10-11,13H2,(H,25,26)
InChIKeyWBXXTPXVEPYJRV-UHFFFAOYSA-N
XLogP5.21
TPSA70.84 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms30
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500415.52
LogP ≤ 55.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]furo[3,2-b]pyridine?
The IUPAC name of 2-[2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]furo[3,2-b]pyridine (CID 166629878) is 2-[2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]furo[3,2-b]pyridine.
What is the SMILES notation for 2-[2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]furo[3,2-b]pyridine?
The canonical SMILES for 2-[2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]furo[3,2-b]pyridine is c1ccc2[nH]c(CN3CCC(c4nc(-c5cc6ncccc6o5)cs4)CC3)nc2c1.
What is the InChIKey of 2-[2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]furo[3,2-b]pyridine?
The InChIKey is WBXXTPXVEPYJRV-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H21N5OS/c1-2-5-17-16(4-1)25-22(26-17)13-28-10-7-15(8-11-28)23-27-19(14-30-23)21-12-18-20(29-21)6-3-9-24-18/h1-6,9,12,14-15H,7-8,10-11,13H2,(H,25,26).
What are the key properties of 2-[2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]furo[3,2-b]pyridine?
2-[2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]furo[3,2-b]pyridine has a molecular weight of 415.52 g/mol, XLogP of 5.21, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[2-[1-(1H-benzimidazol-2-ylmethyl)piperidin-4-yl]-1,3-thiazol-4-yl]furo[3,2-b]pyridine is sourced from PubChem (CID 166629878), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).