5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one

C17H21N3O2 — CID 131900207

IUPAC5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one
SMILESO=C1CCC(CN2CCC(c3nc4ccccc4[nH]3)CC2)O1
InChIInChI=1S/C17H21N3O2/c21-16-6-5-13(22-16)11-20-9-7-12(8-10-20)17-18-14-3-1-2-4-15(14)19-17/h1-4,12-13H,5-11H2,(H,18,19)
InChIKeyJBSMAUSGPGKOKV-UHFFFAOYSA-N
MW299.37 g/mol
LogP2.45
Rot. Bonds3

About 5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one

5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one (PubChem CID 131900207) has the molecular formula C17H21N3O2 and a molecular weight of 299.37 g/mol. Its IUPAC name is 5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one.

Molecular Properties

Compound Name5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one
PubChem CID131900207
Molecular FormulaC17H21N3O2
Molecular Weight299.37 g/mol
Exact Mass299.16
IUPAC Name5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one
SMILESO=C1CCC(CN2CCC(c3nc4ccccc4[nH]3)CC2)O1
InChIInChI=1S/C17H21N3O2/c21-16-6-5-13(22-16)11-20-9-7-12(8-10-20)17-18-14-3-1-2-4-15(14)19-17/h1-4,12-13H,5-11H2,(H,18,19)
InChIKeyJBSMAUSGPGKOKV-UHFFFAOYSA-N
XLogP2.45
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.37
LogP ≤ 52.45
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one;formic acid
CID 154906821
2-[1-(2,3-dihydro-1,4-benzodioxin-3-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 43817655
3-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]propan-1-ol
CID 111112410
2-(1-butylpiperidin-4-yl)-1H-benzimidazole
CID 150629700
2-[1-(oxan-2-ylmethyl)piperidin-3-yl]-1H-benzimidazole
CID 56852354
2-(1-ethylsulfonylpiperidin-4-yl)-1H-benzimidazole
CID 4626342
2-[1-(pyridin-2-ylmethyl)piperidin-4-yl]-1H-benzimidazole
CID 16798070
2-[1-[(5-chlorothiophen-2-yl)methyl]piperidin-4-yl]-1H-benzimidazole
CID 24731939
5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]-1,3-thiazol-2-amine;hydrochloride
CID 120897963
2-[1-[(2-methylphenyl)methyl]pyrrolidin-3-yl]-1H-benzimidazole
CID 75615115
2-[1-(2-phenylpropyl)piperidin-4-yl]-1H-benzimidazole
CID 10087324
2-[4-(1H-benzimidazol-2-yl)piperidin-1-yl]-N-(oxolan-2-ylmethyl)acetamide
CID 16810440

Frequently Asked Questions

What is the IUPAC name of 5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one?
The IUPAC name of 5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one (CID 131900207) is 5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one.
What is the SMILES notation for 5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one?
The canonical SMILES for 5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one is O=C1CCC(CN2CCC(c3nc4ccccc4[nH]3)CC2)O1.
What is the InChIKey of 5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one?
The InChIKey is JBSMAUSGPGKOKV-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N3O2/c21-16-6-5-13(22-16)11-20-9-7-12(8-10-20)17-18-14-3-1-2-4-15(14)19-17/h1-4,12-13H,5-11H2,(H,18,19).
What are the key properties of 5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one?
5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one has a molecular weight of 299.37 g/mol, XLogP of 2.45, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-(1H-benzimidazol-2-yl)piperidin-1-yl]methyl]oxolan-2-one is sourced from PubChem (CID 131900207), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).