4-methyl-2-[[2-[1-(oxan-4-yl)piperidin-3-yl]benzimidazol-1-yl]methyl]-1,3-thiazole

C22H28N4OS — CID 46888856

IUPAC4-methyl-2-[[2-[1-(oxan-4-yl)piperidin-3-yl]benzimidazol-1-yl]methyl]-1,3-thiazole
SMILESCc1csc(Cn2c(C3CCCN(C4CCOCC4)C3)nc3ccccc32)n1
InChIInChI=1S/C22H28N4OS/c1-16-15-28-21(23-16)14-26-20-7-3-2-6-19(20)24-22(26)17-5-4-10-25(13-17)18-8-11-27-12-9-18/h2-3,6-7,15,17-18H,4-5,8-14H2,1H3
InChIKeyGYCWXDHHROKGSJ-UHFFFAOYSA-N
MW396.56 g/mol
LogP4.21
Rot. Bonds4

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

4-methyl-2-[[2-[1-(oxan-4-yl)piperidin-3-yl]benzimidazol-1-yl]methyl]-1,3-thiazole (PubChem CID 46888856) has the molecular formula C22H28N4OS and a molecular weight of 396.56 g/mol. Its IUPAC name is 4-methyl-2-[[2-[1-(oxan-4-yl)piperidin-3-yl]benzimidazol-1-yl]methyl]-1,3-thiazole.

Molecular Properties

Compound Name4-methyl-2-[[2-[1-(oxan-4-yl)piperidin-3-yl]benzimidazol-1-yl]methyl]-1,3-thiazole
PubChem CID46888856
Molecular FormulaC22H28N4OS
Molecular Weight396.56 g/mol
Exact Mass396.20
IUPAC Name4-methyl-2-[[2-[1-(oxan-4-yl)piperidin-3-yl]benzimidazol-1-yl]methyl]-1,3-thiazole
SMILESCc1csc(Cn2c(C3CCCN(C4CCOCC4)C3)nc3ccccc32)n1
InChIInChI=1S/C22H28N4OS/c1-16-15-28-21(23-16)14-26-20-7-3-2-6-19(20)24-22(26)17-5-4-10-25(13-17)18-8-11-27-12-9-18/h2-3,6-7,15,17-18H,4-5,8-14H2,1H3
InChIKeyGYCWXDHHROKGSJ-UHFFFAOYSA-N
XLogP4.21
TPSA43.18 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500396.56
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-methyl-2-[[2-[1-(oxan-4-yl)piperidin-3-yl]benzimidazol-1-yl]methyl]-1,3-thiazole?
The IUPAC name of 4-methyl-2-[[2-[1-(oxan-4-yl)piperidin-3-yl]benzimidazol-1-yl]methyl]-1,3-thiazole (CID 46888856) is 4-methyl-2-[[2-[1-(oxan-4-yl)piperidin-3-yl]benzimidazol-1-yl]methyl]-1,3-thiazole.
What is the SMILES notation for 4-methyl-2-[[2-[1-(oxan-4-yl)piperidin-3-yl]benzimidazol-1-yl]methyl]-1,3-thiazole?
The canonical SMILES for 4-methyl-2-[[2-[1-(oxan-4-yl)piperidin-3-yl]benzimidazol-1-yl]methyl]-1,3-thiazole is Cc1csc(Cn2c(C3CCCN(C4CCOCC4)C3)nc3ccccc32)n1.
What is the InChIKey of 4-methyl-2-[[2-[1-(oxan-4-yl)piperidin-3-yl]benzimidazol-1-yl]methyl]-1,3-thiazole?
The InChIKey is GYCWXDHHROKGSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H28N4OS/c1-16-15-28-21(23-16)14-26-20-7-3-2-6-19(20)24-22(26)17-5-4-10-25(13-17)18-8-11-27-12-9-18/h2-3,6-7,15,17-18H,4-5,8-14H2,1H3.
What are the key properties of 4-methyl-2-[[2-[1-(oxan-4-yl)piperidin-3-yl]benzimidazol-1-yl]methyl]-1,3-thiazole?
4-methyl-2-[[2-[1-(oxan-4-yl)piperidin-3-yl]benzimidazol-1-yl]methyl]-1,3-thiazole has a molecular weight of 396.56 g/mol, XLogP of 4.21, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-2-[[2-[1-(oxan-4-yl)piperidin-3-yl]benzimidazol-1-yl]methyl]-1,3-thiazole is sourced from PubChem (CID 46888856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).