1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone

C20H24N4OS — CID 55688096

IUPAC1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(C)c1nc(CC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cs1
InChIInChI=1S/C20H24N4OS/c1-13(2)20-21-15(12-26-20)11-18(25)24-9-7-14(8-10-24)19-22-16-5-3-4-6-17(16)23-19/h3-6,12-14H,7-11H2,1-2H3,(H,22,23)
InChIKeyACOHAFACAPLDAY-UHFFFAOYSA-N
MW368.51 g/mol
LogP4.09
Rot. Bonds4

About 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone

1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone (PubChem CID 55688096) has the molecular formula C20H24N4OS and a molecular weight of 368.51 g/mol. Its IUPAC name is 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone.

Molecular Properties

Compound Name1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
PubChem CID55688096
Molecular FormulaC20H24N4OS
Molecular Weight368.51 g/mol
Exact Mass368.17
IUPAC Name1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone
SMILESCC(C)c1nc(CC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cs1
InChIInChI=1S/C20H24N4OS/c1-13(2)20-21-15(12-26-20)11-18(25)24-9-7-14(8-10-24)19-22-16-5-3-4-6-17(16)23-19/h3-6,12-14H,7-11H2,1-2H3,(H,22,23)
InChIKeyACOHAFACAPLDAY-UHFFFAOYSA-N
XLogP4.09
TPSA61.88 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.51
LogP ≤ 54.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
The IUPAC name of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone (CID 55688096) is 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone.
What is the SMILES notation for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
The canonical SMILES for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone is CC(C)c1nc(CC(=O)N2CCC(c3nc4ccccc4[nH]3)CC2)cs1.
What is the InChIKey of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
The InChIKey is ACOHAFACAPLDAY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H24N4OS/c1-13(2)20-21-15(12-26-20)11-18(25)24-9-7-14(8-10-24)19-22-16-5-3-4-6-17(16)23-19/h3-6,12-14H,7-11H2,1-2H3,(H,22,23).
What are the key properties of 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone?
1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone has a molecular weight of 368.51 g/mol, XLogP of 4.09, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-2-(2-propan-2-yl-1,3-thiazol-4-yl)ethanone is sourced from PubChem (CID 55688096), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).