5-[2-[4-(1H-benzimidazol-2-yl)piperidin-4-yl]ethyl]-3,3-diethyloxolan-2-one

C22H31N3O2 — CID 118659693

IUPAC5-[2-[4-(1H-benzimidazol-2-yl)piperidin-4-yl]ethyl]-3,3-diethyloxolan-2-one
SMILESCCC1(CC)CC(CCC2(c3nc4ccccc4[nH]3)CCNCC2)OC1=O
InChIInChI=1S/C22H31N3O2/c1-3-21(4-2)15-16(27-20(21)26)9-10-22(11-13-23-14-12-22)19-24-17-7-5-6-8-18(17)25-19/h5-8,16,23H,3-4,9-15H2,1-2H3,(H,24,25)
InChIKeyFDAAXFIVUBDXKW-UHFFFAOYSA-N
MW369.51 g/mol
LogP4.09
Rot. Bonds6

About 5-[2-[4-(1H-benzimidazol-2-yl)piperidin-4-yl]ethyl]-3,3-diethyloxolan-2-one

5-[2-[4-(1H-benzimidazol-2-yl)piperidin-4-yl]ethyl]-3,3-diethyloxolan-2-one (PubChem CID 118659693) has the molecular formula C22H31N3O2 and a molecular weight of 369.51 g/mol. Its IUPAC name is 5-[2-[4-(1H-benzimidazol-2-yl)piperidin-4-yl]ethyl]-3,3-diethyloxolan-2-one.

Molecular Properties

Compound Name5-[2-[4-(1H-benzimidazol-2-yl)piperidin-4-yl]ethyl]-3,3-diethyloxolan-2-one
PubChem CID118659693
Molecular FormulaC22H31N3O2
Molecular Weight369.51 g/mol
Exact Mass369.24
IUPAC Name5-[2-[4-(1H-benzimidazol-2-yl)piperidin-4-yl]ethyl]-3,3-diethyloxolan-2-one
SMILESCCC1(CC)CC(CCC2(c3nc4ccccc4[nH]3)CCNCC2)OC1=O
InChIInChI=1S/C22H31N3O2/c1-3-21(4-2)15-16(27-20(21)26)9-10-22(11-13-23-14-12-22)19-24-17-7-5-6-8-18(17)25-19/h5-8,16,23H,3-4,9-15H2,1-2H3,(H,24,25)
InChIKeyFDAAXFIVUBDXKW-UHFFFAOYSA-N
XLogP4.09
TPSA67.01 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500369.51
LogP ≤ 54.09
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 5-[2-[4-(1H-benzimidazol-2-yl)piperidin-4-yl]ethyl]-3,3-diethyloxolan-2-one with MolForge

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Related Compounds

2-acetyl-3-[(1H-benzimidazol-2-ylmethyl)amino]-5,5-dimethylcyclohex-2-en-1-one
CID 135403746
ethyl 5-((3-(1H-benzo[d]imidazol-2-yl)propyl)(methyl)amino)-2-isopropyl-2-phenylpentanoate
CID 44577778
ethyl 5-((3-(5,6-dimethyl-1H-benzo[d]imidazol-2-yl)propyl)(methyl)amino)-2-isopropyl-2-phenylpentanoate
CID 44577815
1H-benzimidazol-2-ylmethyl 1-adamantanecarboxylate
CID 3142835
ethyl 1-[3-(1H-benzimidazol-2-yl)propanoyl]piperidine-4-carboxylate
CID 3240762
US10544117, Entry 230068
CID 118947115
2(3H)-Furanone, dihydro-3-(1H-benzimidazol-2-yl)-5-methyl-3-(2-propenyl)-
CID 36021
1H-benzimidazol-2-ylmethyl cyclohexanecarboxylate
CID 2456047
Cyclohexanecarboxylic acid 1-(1H-benzoimidazol-2-yl)-ethyl ester
CID 3152016
[1-(1H-benzimidazol-2-ylmethyl)-4-(tetrahydro-2H-pyran-2-ylmethyl)piperidin-4-yl]methanol
CID 16187633
ethyl 1-(1H-benzimidazol-2-ylmethyl)-4-(tetrahydro-2H-pyran-2-ylmethyl)-4-piperidinecarboxylate
CID 16191406
(1S,2R,4R,11S,12R)-12-[(1H-benzimidazol-2-ylamino)methyl]-4,8-dimethyl-3,14-dioxatricyclo[9.3.0.02,4]tetradec-7-en-13-one
CID 90670003

Frequently Asked Questions

What is the IUPAC name of 5-[2-[4-(1H-benzimidazol-2-yl)piperidin-4-yl]ethyl]-3,3-diethyloxolan-2-one?
The IUPAC name of 5-[2-[4-(1H-benzimidazol-2-yl)piperidin-4-yl]ethyl]-3,3-diethyloxolan-2-one (CID 118659693) is 5-[2-[4-(1H-benzimidazol-2-yl)piperidin-4-yl]ethyl]-3,3-diethyloxolan-2-one.
What is the SMILES notation for 5-[2-[4-(1H-benzimidazol-2-yl)piperidin-4-yl]ethyl]-3,3-diethyloxolan-2-one?
The canonical SMILES for 5-[2-[4-(1H-benzimidazol-2-yl)piperidin-4-yl]ethyl]-3,3-diethyloxolan-2-one is CCC1(CC)CC(CCC2(c3nc4ccccc4[nH]3)CCNCC2)OC1=O.
What is the InChIKey of 5-[2-[4-(1H-benzimidazol-2-yl)piperidin-4-yl]ethyl]-3,3-diethyloxolan-2-one?
The InChIKey is FDAAXFIVUBDXKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H31N3O2/c1-3-21(4-2)15-16(27-20(21)26)9-10-22(11-13-23-14-12-22)19-24-17-7-5-6-8-18(17)25-19/h5-8,16,23H,3-4,9-15H2,1-2H3,(H,24,25).
What are the key properties of 5-[2-[4-(1H-benzimidazol-2-yl)piperidin-4-yl]ethyl]-3,3-diethyloxolan-2-one?
5-[2-[4-(1H-benzimidazol-2-yl)piperidin-4-yl]ethyl]-3,3-diethyloxolan-2-one has a molecular weight of 369.51 g/mol, XLogP of 4.09, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-[4-(1H-benzimidazol-2-yl)piperidin-4-yl]ethyl]-3,3-diethyloxolan-2-one is sourced from PubChem (CID 118659693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).