3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one

C20H23N3O — CID 21262755

IUPAC3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H23N3O/c24-20-21-18-8-4-5-9-19(18)23(20)17-11-14-22(15-12-17)13-10-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,21,24)
InChIKeyACSFPKPHWFYWBH-UHFFFAOYSA-N
MW321.42 g/mol
LogP3.21
Rot. Bonds4

About 3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one

3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one (PubChem CID 21262755) has the molecular formula C20H23N3O and a molecular weight of 321.42 g/mol. Its IUPAC name is 3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one.

Molecular Properties

Compound Name3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
PubChem CID21262755
Molecular FormulaC20H23N3O
Molecular Weight321.42 g/mol
Exact Mass321.18
IUPAC Name3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
SMILESO=c1[nH]c2ccccc2n1C1CCN(CCc2ccccc2)CC1
InChIInChI=1S/C20H23N3O/c24-20-21-18-8-4-5-9-19(18)23(20)17-11-14-22(15-12-17)13-10-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,21,24)
InChIKeyACSFPKPHWFYWBH-UHFFFAOYSA-N
XLogP3.21
TPSA41.03 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.42
LogP ≤ 53.21
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

3-[1-[2-(4-methoxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968462
3-[1-[2-(3,4-dihydroxyphenyl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;hydrobromide
CID 12811312
3-[1-(2-phenylsulfanylethyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968600
3-[1-(2-phenylethylsulfonyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 60531984
3-[1-[2-(1,2,3,6-tetrahydropyridin-4-yl)ethyl]piperidin-4-yl]-1H-benzimidazol-2-one;dihydrochloride
CID 21076275
3-[1-(2,2-difluoro-3-phenylpropyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 102281870
3-[1-[3-(N-phenylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 12763869
2-[4-[4-(2-oxo-3H-benzimidazol-1-yl)piperidin-1-yl]butyl]isoindole-1,3-dione
CID 18187410
3-(1-methylpiperidin-4-yl)-1H-benzimidazol-2-one;hydrochloride
CID 70537515
3-[1-[3-(N-methylanilino)propyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 172968530
3-[1-(6-phenylhexanoyl)piperidin-4-yl]-1H-benzimidazol-2-one
CID 57456411
3-[1-[2-[4-(1,3-benzothiazol-2-yloxy)phenyl]ethyl]piperidin-4-yl]-1H-benzimidazol-2-one
CID 67302558

Frequently Asked Questions

What is the IUPAC name of 3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The IUPAC name of 3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one (CID 21262755) is 3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one.
What is the SMILES notation for 3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The canonical SMILES for 3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one is O=c1[nH]c2ccccc2n1C1CCN(CCc2ccccc2)CC1.
What is the InChIKey of 3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
The InChIKey is ACSFPKPHWFYWBH-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H23N3O/c24-20-21-18-8-4-5-9-19(18)23(20)17-11-14-22(15-12-17)13-10-16-6-2-1-3-7-16/h1-9,17H,10-15H2,(H,21,24).
What are the key properties of 3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one?
3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one has a molecular weight of 321.42 g/mol, XLogP of 3.21, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[1-(2-phenylethyl)piperidin-4-yl]-1H-benzimidazol-2-one is sourced from PubChem (CID 21262755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).